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

Systemtic Name: 1-[4-(2-azanylethyl)pyrrolidin-2-yl]carbonyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 1-[4-(2-aminoethyl)pyrrolidine-2-carbonyl]-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride CAS Name: 1-[[4-(2-aminoethyl)-2-pyrrolidinyl]-oxomethyl]-4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 1-[4-(2-aminoethyl)pyrrolidine-2-carbonyl]-4-[(2-hydroxy-4-phenylbutanoyl)amino]-N-quinolin-3-ylpyrrolidine-2-carboxamide trihydrochloride Traditional Name: 1-[4-(2-aminoethyl)prolyl]-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride Formula: C31H41Cl3N6O4 MolecularWeight: 668.05404

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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)CCN.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)CCN.Cl.Cl.Cl

InChI

InChI=1S/C31H38N6O4.3ClH/c32-13-12-21-14-26(33-17-21)31(41)37-19-24(36-30(40)28(38)11-10-20-6-2-1-3-7-20)16-27(37)29(39)35-23-15-22-8-4-5-9-25(22)34-18-23;;;/h1-9,15,18,21,24,26-28,33,38H,10-14,16-17,19,32H2,(H,35,39)(H,36,40);3*1H