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CHEBI:116246 - (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester

ChEBI IDCHEBI:116246
ChEBI Name(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester
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Last Modified12 March 2018
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FormulaC18H20ClN3O4
Net Charge0
Average Mass377.828
Monoisotopic Mass377.11423
SMILESCC(=N)C(C#N)C(=O)COC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C18H20ClN3O4/c1-10(2)16(22-17(24)12-6-4-5-7-14(12)19)18(25)26-9-15(23)13(8-20)11(3)21/h4-7,10,13,16,21H,9H2,1-3H3,(H,22,24)/t13?,16-/m0/s1
InChIKeyKZPBGGBSVDFJRX-VYIIXAMBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester (CHEBI:116246) is a secondary carboxamide (CHEBI:140325)
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