methanesulfonic acid; 3-[[2-[[[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]phenyl]amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid

Systemtic Name: methanesulfonic acid; 3-[[2-[[[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]phenyl]amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: methanesulfonic acid; 3-[[2-[[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]anilino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[[4-[(Z)-amino(methoxycarbonylimino)methyl]anilino]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid; methanesulfonic acid IUPAC Name: methanesulfonic acid; 3-[[2-[[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[[4-[(Z)-N'-carbomethoxyamidino]anilino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid; mesylic acid Formula: C28H31N7O8S MolecularWeight: 625.65284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=NC(=O)OC)N.CS(=O)(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)/C(=N/C(=O)OC)/N.CS(=O)(=O)O

InChI

InChI=1S/C27H27N7O5.CH4O3S/c1-33-21-11-8-18(26(37)34(14-12-24(35)36)22-5-3-4-13-29-22)15-20(21)31-23(33)16-30-19-9-6-17(7-10-19)25(28)32-27(38)39-2;1-5(2,3)4/h3-11,13,15,30H,12,14,16H2,1-2H3,(H,35,36)(H2,28,32,38);1H3,(H,2,3,4)