2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]acetic acid Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(CC2=C(N1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1C(=O)N(CC2=C(N1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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