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Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

UUID d75721dc-4bbe-4c8b-9f5f-43678d141713
Deprecated yes
Replaced By b885d7bb-3bce-41d3-85b9-1f676c406dbe
Flow Object IDfo-0d694c5183ef8324
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1458-18-0
EC Numbers 215-947-7
prefLabel
Language Value Provenance
en Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
altLabel
Language Value Provenance
en 2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester
en 3-Amino-5,6-dichloropyrazine-2-carboxylic acid methyl ester
en Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester
References
Shared Properties
Predicate Value
InChIKey USYMCUGEGUFUBI-UHFFFAOYSA-N, WLMCGHNETVRYRY-STQMWFEESA-N
InChI InChI=1S/C17H34N6O5S/c18-6-1-2-7-21-8-3-9-22-10-15(25)23(16(26)13(20)11-29)14(24)5-4-12(19)17(27)28/h12-13,21-22,29H,1-11,18-20H2,(H,27,28)/t12-,13-/m0/s1, InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
IUPAC name (2S)-2-amino-5-[[2-[3-(4-aminobutylamino)propylamino]-1-oxoethyl]-[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-5-oxopentanoic acid, (2S)-2-amino-5-[[2-[3-(4-aminobutylamino)propylamino]acetyl]-[(2R)-2-amino-3-mercapto-propanoyl]amino]-5-keto-valeric acid, (2S)-2-amino-5-[[2-[3-(4-aminobutylamino)propylamino]acetyl]-[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-5-oxo-pentanoic acid, (2S)-2-amino-5-[[2-[3-(4-aminobutylamino)propylamino]acetyl]-[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid, (2S)-2-azanyl-5-[2-[3-(4-azanylbutylamino)propylamino]ethanoyl-[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid, 3-amino-5,6-dichloro-2-pyrazinecarboxylic acid methyl ester, 3-amino-5,6-dichloro-pyrazinic acid methyl ester, methyl 3-amino-5,6-dichloro-pyrazine-2-carboxylate, methyl 3-amino-5,6-dichloropyrazine-2-carboxylate, methyl 3-azanyl-5,6-bis(chloranyl)pyrazine-2-carboxylate
Molecular formula C17H34N6O5S, C6H5Cl2N3O2
SMILES C(CCNCCCNCC(=O)N(C(=O)CCC(C(=O)O)N)C(=O)C(CS)N)CN, C(CCNCCCNCC(=O)N(C(=O)CC[C@@H](C(=O)O)N)C(=O)[C@H](CS)N)CN, COC(=O)C1=C(N=C(C(=N1)Cl)Cl)N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d75721dc-4bbe-4c8b-9f5f-43678d141713 methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

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=methyl3-amino-5,6-dichloropyrazine-2-carboxylate||dimension=Environmental > media=Ground > geography=Agricultural; cas=1458-18-0; added Common Chemistry CAS names as altLabel: 2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester, 3-Amino-5,6-dichloropyrazine-2-carboxylic acid methyl ester, Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester; object_uuid=fo-0d694c5183ef8324
cas_match_labels 1 consensus_match group_key=methyl3-amino-5,6-dichloropyrazine-2-carboxylate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1458-18-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0d694c5183ef8324: {'1458-18-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'1458-18-0': 'exactMatch'} group_key=methyl3-amino-5,6-dichloropyrazine-2-carboxylate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1458-18-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0d694c5183ef8324: {'1458-18-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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