6-[2-[[3-methoxy-4-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-benzimidazol-4-yl]carbonylamino]phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]hexanoic acid

Systemtic Name: 6-[2-[[3-methoxy-4-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-benzimidazol-4-yl]carbonylamino]phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]hexanoic acid Openeye Name: 6-[2-[[4-[[2-[(tert-butoxycarbonylamino)methyl]-1H-benzimidazole-4-carbonyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]hexanoic acid CAS Name: 6-[2-[[[3-methoxy-4-[[[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1H-benzimidazol-4-yl]-oxomethyl]amino]phenyl]-oxomethyl]-methylamino]-5-methylphenoxy]hexanoic acid IUPAC Name: 6-[2-[[3-methoxy-4-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-benzimidazole-4-carbonyl]amino]benzoyl]-methylamino]-5-methylphenoxy]hexanoic acid Traditional Name: 6-[2-[[4-[[2-[(tert-butoxycarbonylamino)methyl]-1H-benzimidazole-4-carbonyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]hexanoic acid Formula: C36H43N5O8 MolecularWeight: 673.75532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)CNC(=O)OC(C)(C)C)OC)OCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)CNC(=O)OC(C)(C)C)OC)OCCCCCC(=O)O

InChI

InChI=1S/C36H43N5O8/c1-22-14-17-27(29(19-22)48-18-9-7-8-13-31(42)43)41(5)34(45)23-15-16-25(28(20-23)47-6)39-33(44)24-11-10-12-26-32(24)40-30(38-26)21-37-35(46)49-36(2,3)4/h10-12,14-17,19-20H,7-9,13,18,21H2,1-6H3,(H,37,46)(H,38,40)(H,39,44)(H,42,43)