(2S)-5-azanyl-2-[(4-cyanophenyl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-[(4-cyanophenyl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[(4-cyanobenzoyl)amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(4-cyanophenyl)-oxomethyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[(4-cyanobenzoyl)amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[(4-cyanobenzoyl)amino]-5-keto-valerate Formula: C13H12N3O4- MolecularWeight: 274.25208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NC(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c14-7-8-1-3-9(4-2-8)12(18)16-10(13(19)20)5-6-11(15)17/h1-4,10H,5-6H2,(H2,15,17)(H,16,18)(H,19,20)/p-1/t10-/m0/s1