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

Systemtic Name: (2S,3S)-2-[(3-cyanophenyl)carbamoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(3-cyanophenyl)carbamoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(3-cyanoanilino)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(3-cyanophenyl)carbamoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(3-cyanophenyl)carbamoylamino]-3-methyl-valerate Formula: C14H16N3O3- MolecularWeight: 274.29514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)NC1=CC=CC(=C1)C#N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)NC1=CC=CC(=C1)C#N

InChI

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