1-(4-azanylpyrrolidin-2-yl)carbonyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride

Systemtic Name: 1-(4-azanylpyrrolidin-2-yl)carbonyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 1-(4-aminopyrrolidine-2-carbonyl)-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride CAS Name: 1-[(4-amino-2-pyrrolidinyl)-oxomethyl]-4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 1-(4-aminopyrrolidine-2-carbonyl)-4-[(2-hydroxy-4-phenylbutanoyl)amino]-N-quinolin-3-ylpyrrolidine-2-carboxamide trihydrochloride Traditional Name: 1-(4-aminoprolyl)-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride Formula: C29H37Cl3N6O4 MolecularWeight: 640.00088

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O)N.Cl.Cl.Cl

Isomeric SMILES

C1C(CNC1C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O)N.Cl.Cl.Cl

InChI

InChI=1S/C29H34N6O4.3ClH/c30-20-13-24(31-15-20)29(39)35-17-22(34-28(38)26(36)11-10-18-6-2-1-3-7-18)14-25(35)27(37)33-21-12-19-8-4-5-9-23(19)32-16-21;;;/h1-9,12,16,20,22,24-26,31,36H,10-11,13-15,17,30H2,(H,33,37)(H,34,38);3*1H