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Valifenalate

UUID 5c2eeabb-1be3-4a50-9771-5fb0894bb3cb
Flow Object IDfo-88636e263edaff01
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 283159-90-0
EC Numbers 608-192-3
prefLabel ⓘ
Language Value Provenance
en Valifenalate
altLabel ⓘ
Language Value Provenance
en methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate
en methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate
en methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate
en methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate
en IR 5885
en Valiphenal
en β-Alanine, <em>N</em>-[(1-methylethoxy)carbonyl]-<span class="text-smallcaps">L</span>-valyl-3-(4-chlorophenyl)-, methyl ester
Definitions
Language Value Provenance
en A diastereoisomeric mixture of L-(R)- and L-(S)-valifenalate. An anti-peronosporic fungicide, it is used to control mildew in many crops including grapes, potatoes and tomatoes.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey DBXFMOWZRXXBRN-LWKPJOBUSA-N
InChI InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1
IUPAC name 3-(4-chlorophenyl)-3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propionic acid methyl ester, 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(propan-2-yloxy)methyl]amino]butyl]amino]propanoic acid methyl ester, methyl 3-(4-chlorophenyl)-3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propanoate, methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
Molecular formula C19H27ClN2O5
Molecular mass 398.887
Monoisotopic mass 398.16085
SMILES CC(C)C(C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C, CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C, COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5c2eeabb-1be3-4a50-9771-5fb0894bb3cb methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate Emissions/Emissions to water/Emissions to water, unspecified kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=283159-90-0; added Common Chemistry CAS names as altLabel: IR 5885, Valiphenal, β-Alanine, <em>N</em>-[(1-methylethoxy)carbonyl]-<span class="text-smallcaps">L</span>-valyl-3-(4-chlorophenyl)-, methyl ester; object_uuid=fo-88636e263edaff01
cas_match_labels 1 — consensus_match group_key=methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi']; cas_sources={'283159-90-0': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-88636e263edaff01: {'283159-90-0': 'exactMatch'}
prefLabel 1 — consensus_match cas=283159-90-0; cc_chebi_agreed_name='Valifenalate'; object_uuid=fo-88636e263edaff01

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Valifenalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:283159-90-0'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=283159-90-0; cc_chebi_agreed_name='Valifenalate'; object_uuid=fo-88636e263edaff01
altLabel [{'@value': 'methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'valifenalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:valifenalate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=283159-90-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-88636e263edaff01
altLabel [{'@value': 'methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': 'methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate', 'http://purl.obolibrary.org/obo/CHEBI_83610', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IR 5885', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:283159-90-0', 'https://commonchemistry.cas.org/detail?cas_rn=283159-90-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Valiphenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:283159-90-0', 'https://commonchemistry.cas.org/detail?cas_rn=283159-90-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Alanine, <em>N</em>-[(1-methylethoxy)carbonyl]-<span class="text-smallcaps">L</span>-valyl-3-(4-chlorophenyl)-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:283159-90-0', 'https://commonchemistry.cas.org/detail?cas_rn=283159-90-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=283159-90-0; added Common Chemistry CAS names as altLabel: IR 5885, Valiphenal, β-Alanine, <em>N</em>-[(1-methylethoxy)carbonyl]-<span class="text-smallcaps">L</span>-valyl-3-(4-chlorophenyl)-, methyl ester; object_uuid=fo-88636e263edaff01
cas_match_labels None {'283159-90-0': 'exactMatch'} group_key=methyl-3-(4-chlorophenyl)-3-((n-(isopropylcarbonyl)-l-valyl)amino)propanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi']; cas_sources={'283159-90-0': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-88636e263edaff01: {'283159-90-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "ec_numbers": [
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  "context": {
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    "media": "Water",
    "water_body": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 3.6061e-7
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    {
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