[(4-carbamimidoylphenyl)carbonylamino] 2-(3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)carbonylamino] 2-(3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)ethanoate Openeye Name: [(4-carbamimidoylbenzoyl)amino] 2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetate CAS Name: 2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetic acid [[(4-carbamimidoylphenyl)-oxomethyl]amino] ester IUPAC Name: [(4-carbamimidoylbenzoyl)amino] 2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetate Traditional Name: 2-(3-keto-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetic acid [(4-amidinobenzoyl)amino] ester Formula: C19H19N5O4 MolecularWeight: 381.38526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(CC2=CC=CC=C2N1)CC(=O)ONC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C(=O)N(CC2=CC=CC=C2N1)CC(=O)ONC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N5O4/c20-18(21)12-5-7-13(8-6-12)19(27)23-28-17(26)11-24-10-14-3-1-2-4-15(14)22-9-16(24)25/h1-8,22H,9-11H2,(H3,20,21)(H,23,27)