5-azanyl-2-[(3-cyanophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(3-cyanophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(3-cyanobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(3-cyanophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(3-cyanobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(3-cyanobenzoyl)amino]-5-keto-valeric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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