3-[6-[(4-carbamimidoylphenyl)carbonylamino]-1H-benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)carbonylamino]-1H-benzimidazol-2-yl]propanoic acid Openeye Name: 3-[6-[(4-carbamimidoylbenzoyl)amino]-1H-benzimidazol-2-yl]propanoic acid CAS Name: 3-[6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1H-benzimidazol-2-yl]propanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylbenzoyl)amino]-1H-benzimidazol-2-yl]propanoic acid Traditional Name: 3-[6-[(4-amidinobenzoyl)amino]-1H-benzimidazol-2-yl]propionic acid Formula: C18H17N5O3 MolecularWeight: 351.35928

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3/c19-17(20)10-1-3-11(4-2-10)18(26)21-12-5-6-13-14(9-12)23-15(22-13)7-8-16(24)25/h1-6,9H,7-8H2,(H3,19,20)(H,21,26)(H,22,23)(H,24,25)