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

Systemtic Name: (2S)-5-azanyl-2-[(4-cyanophenyl)carbamoylamino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[(4-cyanophenyl)carbamoylamino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(4-cyanoanilino)-oxomethyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[(4-cyanophenyl)carbamoylamino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[(4-cyanophenyl)carbamoylamino]-5-keto-valerate Formula: C13H13N4O4- MolecularWeight: 289.26672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c14-7-8-1-3-9(4-2-8)16-13(21)17-10(12(19)20)5-6-11(15)18/h1-4,10H,5-6H2,(H2,15,18)(H,19,20)(H2,16,17,21)/p-1/t10-/m0/s1