propan-2-yl 3-[[2-(4-carbamimidoylphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-5-yl]carbonylamino]propanoate dihydrochloride

Systemtic Name: propan-2-yl 3-[[2-(4-carbamimidoylphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-5-yl]carbonylamino]propanoate dihydrochloride Openeye Name: isopropyl 3-[[2-(4-carbamimidoylphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazole-5-carbonyl]amino]propanoate dihydrochloride CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid propan-2-yl ester dihydrochloride IUPAC Name: propan-2-yl 3-[[2-(4-carbamimidoylphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazole-5-carbonyl]amino]propanoate dihydrochloride Traditional Name: 3-[[2-(4-amidinophenyl)-1-homoveratryl-benzimidazole-5-carbonyl]amino]propionic acid isopropyl ester dihydrochloride Formula: C31H37Cl2N5O5 MolecularWeight: 630.56198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCC4=CC(=C(C=C4)OC)OC.Cl.Cl

Isomeric SMILES

CC(C)OC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCC4=CC(=C(C=C4)OC)OC.Cl.Cl

InChI

InChI=1S/C31H35N5O5.2ClH/c1-19(2)41-28(37)13-15-34-31(38)23-10-11-25-24(18-23)35-30(22-8-6-21(7-9-22)29(32)33)36(25)16-14-20-5-12-26(39-3)27(17-20)40-4;;/h5-12,17-19H,13-16H2,1-4H3,(H3,32,33)(H,34,38);2*1H