(2S)-4-azanyl-2-[(4-cyanophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[(4-cyanophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[(4-cyanophenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(4-cyanoanilino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[(4-cyanophenyl)carbamoylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[(4-cyanophenyl)carbamoylamino]-4-keto-butyric acid Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C12H12N4O4/c13-6-7-1-3-8(4-2-7)15-12(20)16-9(11(18)19)5-10(14)17/h1-4,9H,5H2,(H2,14,17)(H,18,19)(H2,15,16,20)/t9-/m0/s1