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

Systemtic Name: 6-[2-[[4-[[1-(aminomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-4-yl]carbonylamino]-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]hexanoic acid Openeye Name: 6-[2-[[4-[[1-(aminomethyl)-2-tert-butoxycarbonyl-benzimidazole-4-carbonyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]hexanoic acid CAS Name: 6-[2-[[[4-[[[1-(aminomethyl)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-benzimidazolyl]-oxomethyl]amino]-3-methoxyphenyl]-oxomethyl]-methylamino]-5-methylphenoxy]hexanoic acid IUPAC Name: 6-[2-[[4-[[1-(aminomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazole-4-carbonyl]amino]-3-methoxybenzoyl]-methylamino]-5-methylphenoxy]hexanoic acid Traditional Name: 6-[2-[[4-[[1-(aminomethyl)-2-tert-butoxycarbonyl-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)N(C(=N4)C(=O)OC(C)(C)C)CN)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)N(C(=N4)C(=O)OC(C)(C)C)CN)OC)OCCCCCC(=O)O

InChI

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