4-azanyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-1-piperidin-2-ylcarbonyl-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride

Systemtic Name: 4-azanyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-1-piperidin-2-ylcarbonyl-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 4-amino-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-(piperidine-2-carbonyl)-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride CAS Name: 4-amino-4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-1-[oxo(2-piperidinyl)methyl]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 4-amino-4-[(2-hydroxy-4-phenylbutanoyl)amino]-1-(piperidine-2-carbonyl)-N-quinolin-3-ylpyrrolidine-2-carboxamide trihydrochloride Traditional Name: 4-amino-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-pipecoloyl-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride Formula: C30H39Cl3N6O4 MolecularWeight: 654.02746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)(N)NC(=O)C(CCC5=CC=CC=C5)O.Cl.Cl.Cl

Isomeric SMILES

C1CCNC(C1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)(N)NC(=O)C(CCC5=CC=CC=C5)O.Cl.Cl.Cl

InChI

InChI=1S/C30H36N6O4.3ClH/c31-30(35-28(39)26(37)14-13-20-8-2-1-3-9-20)17-25(36(19-30)29(40)24-12-6-7-15-32-24)27(38)34-22-16-21-10-4-5-11-23(21)33-18-22;;;/h1-5,8-11,16,18,24-26,32,37H,6-7,12-15,17,19,31H2,(H,34,38)(H,35,39);3*1H