(2S,3S)-2-[(4-cyanophenyl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[(4-cyanophenyl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(4-cyanobenzoyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(4-cyanophenyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(4-cyanobenzoyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(4-cyanobenzoyl)amino]-3-methyl-valeric acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-3-9(2)12(14(18)19)16-13(17)11-6-4-10(8-15)5-7-11/h4-7,9,12H,3H2,1-2H3,(H,16,17)(H,18,19)/t9-,12-/m0/s1