3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-3H-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-3H-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-3H-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-3H-benzimidazol-5-yl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-3H-benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-3H-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid Formula: C24H23N7O3 MolecularWeight: 457.48452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCC(=O)O)C(=O)C2=CC3=C(C=C2)N=C(N3)CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=NC(=C1)N(CCC(=O)O)C(=O)C2=CC3=C(C=C2)N=C(N3)CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H23N7O3/c25-23(26)15-4-7-17(8-5-15)28-14-20-29-18-9-6-16(13-19(18)30-20)24(34)31(12-10-22(32)33)21-3-1-2-11-27-21/h1-9,11,13,28H,10,12,14H2,(H3,25,26)(H,29,30)(H,32,33)