2-[2-azanyl-5-[(4-carbamimidoylphenyl)carbonylamino]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-5-[(4-carbamimidoylphenyl)carbonylamino]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-amino-5-[(4-carbamimidoylbenzoyl)amino]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-amino-5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-amino-5-[(4-carbamimidoylbenzoyl)amino]benzimidazol-1-yl]acetic acid Traditional Name: 2-[5-[(4-amidinobenzoyl)amino]-2-amino-benzimidazol-1-yl]acetic acid Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)C(=O)NC2=CC3=C(C=C2)N(C(=N3)N)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)C(=O)NC2=CC3=C(C=C2)N(C(=N3)N)CC(=O)O

InChI

InChI=1S/C17H16N6O3/c18-15(19)9-1-3-10(4-2-9)16(26)21-11-5-6-13-12(7-11)22-17(20)23(13)8-14(24)25/h1-7H,8H2,(H3,18,19)(H2,20,22)(H,21,26)(H,24,25)