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CHEBI:40415 - 3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acid

ChEBI IDCHEBI:40415
ChEBI Name3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acid
Stars
ASCII Name3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acid
Last Modified16 May 2008
DownloadsMolfile
FormulaC19H27N5O5S2
Net Charge0
Average Mass469.589
Monoisotopic Mass469.14536
SMILES[H]OC(=O)c1nc([H])c([H])nc1C(=O)N([H])[C@]1([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])SSC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C19H27N5O5S2/c1-12(25)20-8-10-30-31-11-9-23-17(26)13-2-4-14(5-3-13)24-18(27)15-16(19(28)29)22-7-6-21-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,25)(H,23,26)(H,24,27)(H,28,29)/t13-,14-
InChIKeyOMSKFAYIWROESZ-HDJSIYSDSA-N
ChEBI Ontology
Outgoing Relation(s)
3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acid (CHEBI:40415) is a monocarboxylic acid amide (CHEBI:29347)
3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acid (CHEBI:40415) is a organic disulfide (CHEBI:35489)
3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acid (CHEBI:40415) is a pyrazinecarboxylic acid (CHEBI:48345)
Synonyms  Source
3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACIDPDBeChem
3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acidPDBeChem
Manual XrefsDatabases
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