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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > (2s)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester
organooxygen compound > carboxamide > secondary carboxamide > (2s)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > (2s)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester

Preferred term

(2s)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H20ClN3O4

inchi

  • InChI=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

inchikey

  • KZPBGGBSVDFJRX-VYIIXAMBSA-N

mass

  • 377.823

monoisotopicmass

  • 377.11423

smiles

  • CC(C)[C@@H](C(=O)OCC(=O)C(C#N)C(=N)C)NC(=O)C1=CC=CC=C1Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116246

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