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

Systemtic Name: 2-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]ethanoic acid Openeye Name: 2-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]acetic acid CAS Name: 2-[[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxy-oxomethyl]-(2-pyridinyl)amino]acetic acid IUPAC Name: 2-[[3-[(4-carbamimidoylphenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]acetic acid Traditional Name: 2-[[3-[(4-amidinophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]acetic acid Formula: C25H27N7O4 MolecularWeight: 489.52638

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(CC(=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(CC(=O)O)C4=CC=CC=N4)C

InChI

InChI=1S/C25H27N7O4/c1-28-24(17-8-6-16(7-9-17)23(26)27)32-15-30(2)19-11-10-18(13-20(19)32)36-25(35)31(14-22(33)34)21-5-3-4-12-29-21/h3-13,24,28H,14-15H2,1-2H3,(H3,26,27)(H,33,34)