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

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[3-[(4-amidinophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid Formula: C26H29N7O4 MolecularWeight: 503.55296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CC=C(C=C1)C(=N)N)N2CN(C3=C2C=C(C=C3)OC(=O)N(CCC(=O)O)C4=CC=CC=N4)C

Isomeric SMILES

CNC(C1=CC=C(C=C1)C(=N)N)N2CN(C3=C2C=C(C=C3)OC(=O)N(CCC(=O)O)C4=CC=CC=N4)C

InChI

InChI=1S/C26H29N7O4/c1-29-25(18-8-6-17(7-9-18)24(27)28)33-16-31(2)20-11-10-19(15-21(20)33)37-26(36)32(14-12-23(34)35)22-5-3-4-13-30-22/h3-11,13,15,25,29H,12,14,16H2,1-2H3,(H3,27,28)(H,34,35)