(2S)-2-[(3-cyanophenyl)carbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(3-cyanophenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(3-cyanophenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3-cyanoanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(3-cyanophenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-cyanophenyl)carbamoylamino]-3-methyl-butyrate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-8(2)11(12(17)18)16-13(19)15-10-5-3-4-9(6-10)7-14/h3-6,8,11H,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1