(2S)-2-[(2-cyanophenyl)carbamoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(2-cyanophenyl)carbamoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(2-cyanophenyl)carbamoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2-cyanoanilino)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(2-cyanophenyl)carbamoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(2-cyanophenyl)carbamoylamino]-4-methyl-valeric acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)NC1=CC=CC=C1C#N

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)NC1=CC=CC=C1C#N

InChI

InChI=1S/C14H17N3O3/c1-9(2)7-12(13(18)19)17-14(20)16-11-6-4-3-5-10(11)8-15/h3-6,9,12H,7H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1