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

Systemtic Name: 1-[4-[2-(methylamino)ethanoylamino]pyrrolidin-2-yl]carbonyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-N-quinolin-3-yl-pyrrolidine-2-carboxamide Openeye Name: 4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-[4-[[2-(methylamino)acetyl]amino]pyrrolidine-2-carbonyl]-N-(3-quinolyl)pyrrolidine-2-carboxamide CAS Name: 4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-1-[[4-[[2-(methylamino)-1-oxoethyl]amino]-2-pyrrolidinyl]-oxomethyl]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide IUPAC Name: 4-[(2-hydroxy-4-phenylbutanoyl)amino]-1-[4-[[2-(methylamino)acetyl]amino]pyrrolidine-2-carbonyl]-N-quinolin-3-ylpyrrolidine-2-carboxamide Traditional Name: 4-[(2-hydroxy-4-phenyl-butanoyl)amino]-N-(3-quinolyl)-1-[4-(sarcosylamino)prolyl]pyrrolidine-2-carboxamide Formula: C32H39N7O5 MolecularWeight: 601.69596

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC1CC(NC1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O

Isomeric SMILES

CNCC(=O)NC1CC(NC1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O

InChI

InChI=1S/C32H39N7O5/c1-33-18-29(41)36-23-14-26(35-17-23)32(44)39-19-24(38-31(43)28(40)12-11-20-7-3-2-4-8-20)15-27(39)30(42)37-22-13-21-9-5-6-10-25(21)34-16-22/h2-10,13,16,23-24,26-28,33,35,40H,11-12,14-15,17-19H2,1H3,(H,36,41)(H,37,42)(H,38,43)