3-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]carbonyl-pyridin-3-yl-amino]propanoic acid

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]carbonyl-pyridin-3-yl-amino]propanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propanoic acid CAS Name: 3-[[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]-oxomethyl]-(3-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazole-5-carbonyl]-pyridin-3-ylamino]propanoic acid Traditional Name: 3-[[3-[(4-amidinophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propionic acid Formula: C26H29N7O3 MolecularWeight: 487.55356

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CC=C(C=C1)C(=N)N)N2CN(C3=C2C=C(C=C3)C(=O)N(CCC(=O)O)C4=CN=CC=C4)C

Isomeric SMILES

CNC(C1=CC=C(C=C1)C(=N)N)N2CN(C3=C2C=C(C=C3)C(=O)N(CCC(=O)O)C4=CN=CC=C4)C

InChI

InChI=1S/C26H29N7O3/c1-29-25(18-7-5-17(6-8-18)24(27)28)33-16-31(2)21-10-9-19(14-22(21)33)26(36)32(13-11-23(34)35)20-4-3-12-30-15-20/h3-10,12,14-15,25,29H,11,13,16H2,1-2H3,(H3,27,28)(H,34,35)