methyl 2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-4-cyano-butanoate

Systemtic Name: methyl 2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-4-cyano-butanoate Openeye Name: methyl 2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-4-cyano-butanoate CAS Name: 2-[[(2S)-2-benzamido-4-methyl-1-oxopentyl]amino]-4-cyanobutanoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]-4-cyanobutanoate Traditional Name: 2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-4-cyano-butyric acid methyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC#N)C(=O)OC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CCC#N)C(=O)OC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H25N3O4/c1-13(2)12-16(22-17(23)14-8-5-4-6-9-14)18(24)21-15(10-7-11-20)19(25)26-3/h4-6,8-9,13,15-16H,7,10,12H2,1-3H3,(H,21,24)(H,22,23)/t15?,16-/m0/s1