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

Systemtic Name: (2S,3S)-2-[(2-cyanophenyl)carbamoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(2-cyanophenyl)carbamoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2-cyanoanilino)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(2-cyanophenyl)carbamoylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(2-cyanophenyl)carbamoylamino]-3-methyl-valeric acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c1-3-9(2)12(13(18)19)17-14(20)16-11-7-5-4-6-10(11)8-15/h4-7,9,12H,3H2,1-2H3,(H,18,19)(H2,16,17,20)/t9-,12-/m0/s1