3-[[2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-methyl-amino]-3-oxidanylidene-propanoic acid dihydrochloride

Systemtic Name: 3-[[2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-methyl-amino]-3-oxidanylidene-propanoic acid dihydrochloride Openeye Name: 3-[[2-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl]-methyl-amino]-3-oxo-propanoic acid dihydrochloride CAS Name: 3-[[2-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-2-methyl-3-oxo-3-(1-pyrrolidinyl)propyl]-methylamino]-3-oxopropanoic acid dihydrochloride IUPAC Name: 3-[[2-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl]-methylamino]-3-oxopropanoic acid dihydrochloride Traditional Name: 3-[[2-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-3-keto-2-methyl-3-pyrrolidino-propyl]-methyl-amino]-3-keto-propionic acid dihydrochloride Formula: C28H37Cl2N7O4 MolecularWeight: 606.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(=O)CC(=O)O)(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4.Cl.Cl

Isomeric SMILES

CC(CN(C)C(=O)CC(=O)O)(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4.Cl.Cl

InChI

InChI=1S/C28H35N7O4.2ClH/c1-28(27(39)35-12-4-5-13-35,17-33(2)24(36)15-25(37)38)19-8-11-22-21(14-19)32-23(34(22)3)16-31-20-9-6-18(7-10-20)26(29)30;;/h6-11,14,31H,4-5,12-13,15-17H2,1-3H3,(H3,29,30)(H,37,38);2*1H