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

Systemtic Name: 4-(2-azanylethanoylamino)-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-1-piperidin-2-ylcarbonyl-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 4-[(2-aminoacetyl)amino]-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-(piperidine-2-carbonyl)-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride CAS Name: 4-[(2-amino-1-oxoethyl)amino]-4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-1-[oxo(2-piperidinyl)methyl]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 4-[(2-aminoacetyl)amino]-4-[(2-hydroxy-4-phenylbutanoyl)amino]-1-(piperidine-2-carbonyl)-N-quinolin-3-ylpyrrolidine-2-carboxamide trihydrochloride Traditional Name: 4-(glycylamino)-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-pipecoloyl-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride Formula: C32H42Cl3N7O5 MolecularWeight: 711.07878

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H39N7O5.3ClH/c33-18-28(41)37-32(38-30(43)27(40)14-13-21-8-2-1-3-9-21)17-26(39(20-32)31(44)25-12-6-7-15-34-25)29(42)36-23-16-22-10-4-5-11-24(22)35-19-23;;;/h1-5,8-11,16,19,25-27,34,40H,6-7,12-15,17-18,20,33H2,(H,36,42)(H,37,41)(H,38,43);3*1H