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1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane

UUID 7ce4ea52-2f1a-4d0c-8a0b-681d59885a91
Flow Object IDfo-4a77ddbf7f9cf6b8
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 168253-59-6
EC Numbers 433-260-2
prefLabel
Language Value Provenance
en 1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane
altLabel ⓘ
Language Value Provenance
en 1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis[aspartate]
en <span class="text-smallcaps">DL</span>-Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester
en Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, 1,1′,4,4′-tetraethyl ester
en Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester
en Feispartic F 220
en Tetraethyl 2,2′-[(2-methylpentane-1,5-diyl)diimino]dibutanoate
References
Shared Properties
Predicate Value
InChIKey IIXYXWPAODWTJR-FQECFTEESA-N, IIXYXWPAODWTJR-UHFFFAOYSA-N
InChI InChI=1S/C22H40N2O8/c1-6-29-19(25)13-17(21(27)31-8-3)23-12-10-11-16(5)15-24-18(22(28)32-9-4)14-20(26)30-7-2/h16-18,23-24H,6-15H2,1-5H3, InChI=1S/C22H40N2O8/c1-6-29-19(25)13-17(21(27)31-8-3)23-12-10-11-16(5)15-24-18(22(28)32-9-4)14-20(26)30-7-2/h16-18,23-24H,6-15H2,1-5H3/t16?,17-,18-/m0/s1
IUPAC name (2S)-2-[[5-[[(1S)-1-carbethoxy-3-ethoxy-3-keto-propyl]amino]-4-methyl-pentyl]amino]succinic acid diethyl ester, (2S)-2-[[5-[[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]-4-methylpentyl]amino]butanedioic acid diethyl ester, 2-[[5-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-4-methylpentyl]amino]butanedioic acid diethyl ester, 2-[[5-[(1-carbethoxy-3-ethoxy-3-keto-propyl)amino]-4-methyl-pentyl]amino]succinic acid diethyl ester, diethyl (2S)-2-[[5-[[(1S)-3-ethoxy-1-ethoxycarbonyl-3-oxo-propyl]amino]-4-methyl-pentyl]amino]butanedioate, diethyl (2S)-2-[[5-[[(2S)-1,4-diethoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-pentyl]amino]butanedioate, diethyl (2S)-2-[[5-[[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]-4-methylpentyl]amino]butanedioate, diethyl 2-[[5-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-4-methylpentyl]amino]butanedioate, diethyl 2-[[5-[(3-ethoxy-1-ethoxycarbonyl-3-oxo-propyl)amino]-4-methyl-pentyl]amino]butanedioate, diethyl 2-[[5-[[1,4-diethoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-pentyl]amino]butanedioate
Molecular formula C22H40N2O8
SMILES CCOC(=O)CC(C(=O)OCC)NCCCC(C)CNC(CC(=O)OCC)C(=O)OCC, CCOC(=O)C[C@@H](C(=O)OCC)NCCCC(C)CN[C@@H](CC(=O)OCC)C(=O)OCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7ce4ea52-2f1a-4d0c-8a0b-681d59885a91 1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane Emissions/Emissions to air/Emissions to air, unspecified (long-term) kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane||dimension=Environmental > media=Water > water_body=Unknown; cas=168253-59-6; added Common Chemistry CAS names as altLabel: 1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis[aspartate], <span class="text-smallcaps">DL</span>-Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, 1,1′,4,4′-tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester, Feispartic F 220, Tetraethyl 2,2′-[(2-methylpentane-1,5-diyl)diimino]dibutanoate; object_uuid=fo-4a77ddbf7f9cf6b8
cas_match_labels 1 — consensus_match group_key=1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'168253-59-6': []}; assigned CAS labels from group consensus; object_uuid=fo-4a77ddbf7f9cf6b8: {'168253-59-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis[aspartate]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:168253-59-6', 'https://commonchemistry.cas.org/detail?cas_rn=168253-59-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">DL</span>-Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:168253-59-6', 'https://commonchemistry.cas.org/detail?cas_rn=168253-59-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, 1,1′,4,4′-tetraethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:168253-59-6', 'https://commonchemistry.cas.org/detail?cas_rn=168253-59-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:168253-59-6', 'https://commonchemistry.cas.org/detail?cas_rn=168253-59-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Feispartic F 220', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:168253-59-6', 'https://commonchemistry.cas.org/detail?cas_rn=168253-59-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tetraethyl 2,2′-[(2-methylpentane-1,5-diyl)diimino]dibutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:168253-59-6', 'https://commonchemistry.cas.org/detail?cas_rn=168253-59-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane||dimension=Environmental > media=Water > water_body=Unknown; cas=168253-59-6; added Common Chemistry CAS names as altLabel: 1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis[aspartate], <span class="text-smallcaps">DL</span>-Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, 1,1′,4,4′-tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester, Feispartic F 220, Tetraethyl 2,2′-[(2-methylpentane-1,5-diyl)diimino]dibutanoate; object_uuid=fo-4a77ddbf7f9cf6b8
cas_match_labels None {'168253-59-6': 'exactMatch'} group_key=1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'168253-59-6': []}; assigned CAS labels from group consensus; object_uuid=fo-4a77ddbf7f9cf6b8: {'168253-59-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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}