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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2NC(C(=O)N1)CC(=O)ONC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C2=CC=CC=C2NC(C(=O)N1)CC(=O)ONC(=O)C3=CC=C(C=C3)C(=N)N

InChI

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