(2S,4R)-4-(8-chloranyl-7-methoxy-2-pyridin-2-yl-quinolin-4-yl)oxy-N-[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(8-chloranyl-7-methoxy-2-pyridin-2-yl-quinolin-4-yl)oxy-N-[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-[[8-chloro-7-methoxy-2-(2-pyridyl)-4-quinolyl]oxy]-N-[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-morpholino-2-oxo-ethyl)butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-[[8-chloro-7-methoxy-2-(2-pyridinyl)-4-quinolinyl]oxy]-N-[(1R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]-1-[(2S)-3,3-dimethyl-2-[2-(4-morpholinyl)-2-oxoethyl]-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(8-chloro-7-methoxy-2-pyridin-2-ylquinolin-4-yl)oxy-N-[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)butanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-[[8-chloro-7-methoxy-2-(2-pyridyl)-4-quinolyl]oxy]-N-[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-1-[(2S)-2-(2-keto-2-morpholino-ethyl)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide Formula: C41H49ClN6O9S MolecularWeight: 837.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)N1CCOCC1)C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC(=NC6=C5C=CC(=C6Cl)OC)C7=CC=CC=N7

Isomeric SMILES

CC(C)(C)[C@H](CC(=O)N1CCOCC1)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC(=NC6=C5C=CC(=C6Cl)OC)C7=CC=CC=N7

InChI

InChI=1S/C41H49ClN6O9S/c1-6-24-22-41(24,39(52)46-58(53,54)26-10-11-26)45-37(50)31-19-25(23-48(31)38(51)28(40(2,3)4)20-34(49)47-15-17-56-18-16-47)57-33-21-30(29-9-7-8-14-43-29)44-36-27(33)12-13-32(55-5)35(36)42/h6-9,12-14,21,24-26,28,31H,1,10-11,15-20,22-23H2,2-5H3,(H,45,50)(H,46,52)/t24?,25-,28-,31+,41-/m1/s1