(2R,4R)-1-[(2S)-3,3-dimethyl-2-oxidanyl-butanoyl]-N-[(1R,2S)-2-ethenyl-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylcarbamoyl]cyclopropyl]-4-(7-methoxy-8-methyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxamide

Systemtic Name: (2R,4R)-1-[(2S)-3,3-dimethyl-2-oxidanyl-butanoyl]-N-[(1R,2S)-2-ethenyl-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylcarbamoyl]cyclopropyl]-4-(7-methoxy-8-methyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxamide Openeye Name: (2R,4R)-1-[(2S)-2-hydroxy-3,3-dimethyl-butanoyl]-4-[(7-methoxy-8-methyl-4-quinolyl)oxy]-N-[(1R,2S)-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylcarbamoyl]-2-vinyl-cyclopropyl]pyrrolidine-2-carboxamide CAS Name: (2R,4R)-N-[(1R,2S)-2-ethenyl-1-[[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]-oxomethyl]cyclopropyl]-1-[(2S)-2-hydroxy-3,3-dimethyl-1-oxobutyl]-4-[(7-methoxy-8-methyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxamide IUPAC Name: (2R,4R)-N-[(1R,2S)-2-ethenyl-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylcarbamoyl]cyclopropyl]-1-[(2S)-2-hydroxy-3,3-dimethylbutanoyl]-4-(7-methoxy-8-methylquinolin-4-yl)oxypyrrolidine-2-carboxamide Traditional Name: (2R,4R)-1-[(2S)-2-hydroxy-3,3-dimethyl-butanoyl]-4-[(7-methoxy-8-methyl-4-quinolyl)oxy]-N-[(1R,2S)-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylcarbamoyl]-2-vinyl-cyclopropyl]pyrrolidine-2-carboxamide Formula: C37H45N5O9S MolecularWeight: 735.8463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C=CN=C12)OC3CC(N(C3)C(=O)C(C(C)(C)C)O)C(=O)NC4(CC4C=C)C(=O)NS(=O)(=O)C5=CC6=C(C=C5)N(CCO6)C)OC

Isomeric SMILES

CC1=C(C=CC2=C(C=CN=C12)O[C@@H]3C[C@@H](N(C3)C(=O)[C@H](C(C)(C)C)O)C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C5=CC6=C(C=C5)N(CCO6)C)OC

InChI

InChI=1S/C37H45N5O9S/c1-8-22-19-37(22,35(46)40-52(47,48)24-9-11-26-30(18-24)50-16-15-41(26)6)39-33(44)27-17-23(20-42(27)34(45)32(43)36(3,4)5)51-29-13-14-38-31-21(2)28(49-7)12-10-25(29)31/h8-14,18,22-23,27,32,43H,1,15-17,19-20H2,2-7H3,(H,39,44)(H,40,46)/t22-,23-,27-,32-,37-/m1/s1