(2S,4R)-1-[(2S)-2-(3-tert-butyl-2-oxidanylidene-imidazolidin-1-yl)-3-methyl-butanoyl]-4-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-7-methoxy-quinolin-4-yl]oxy-N-[(1R,2S)-2-ethenyl-1-(phenylsulfonylcarbamoyl)cyclopropyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-1-[(2S)-2-(3-tert-butyl-2-oxidanylidene-imidazolidin-1-yl)-3-methyl-butanoyl]-4-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-7-methoxy-quinolin-4-yl]oxy-N-[(1R,2S)-2-ethenyl-1-(phenylsulfonylcarbamoyl)cyclopropyl]pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-[(1R,2S)-1-(benzenesulfonylcarbamoyl)-2-vinyl-cyclopropyl]-1-[(2S)-2-(3-tert-butyl-2-oxo-imidazolidin-1-yl)-3-methyl-butanoyl]-4-[[2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-7-methoxy-4-quinolyl]oxy]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-[(1R,2S)-1-[benzenesulfonamido(oxo)methyl]-2-ethenylcyclopropyl]-1-[(2S)-2-(3-tert-butyl-2-oxo-1-imidazolidinyl)-3-methyl-1-oxobutyl]-4-[[2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-7-methoxy-4-quinolinyl]oxy]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-[(1R,2S)-1-(benzenesulfonylcarbamoyl)-2-ethenylcyclopropyl]-1-[(2S)-2-(3-tert-butyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-7-methoxyquinolin-4-yl]oxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-[(1R,2S)-1-(besylcarbamoyl)-2-vinyl-cyclopropyl]-1-[(2S)-2-(3-tert-butyl-2-keto-imidazolidin-1-yl)-3-methyl-butanoyl]-4-[[2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-7-methoxy-4-quinolyl]oxy]pyrrolidine-2-carboxamide Formula: C45H53N7O8S2 MolecularWeight: 884.07442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3=CC=CC=C3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=NC7=C(S6)CCC7)N8CCN(C8=O)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3=CC=CC=C3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=NC7=C(S6)CCC7)N8CCN(C8=O)C(C)(C)C

InChI

InChI=1S/C45H53N7O8S2/c1-8-27-24-45(27,42(55)49-62(57,58)30-13-10-9-11-14-30)48-39(53)35-22-29(25-51(35)41(54)38(26(2)3)50-19-20-52(43(50)56)44(4,5)6)60-36-23-34(40-47-32-15-12-16-37(32)61-40)46-33-21-28(59-7)17-18-31(33)36/h8-11,13-14,17-18,21,23,26-27,29,35,38H,1,12,15-16,19-20,22,24-25H2,2-7H3,(H,48,53)(H,49,55)/t27-,29-,35+,38+,45-/m1/s1