tert-butyl N-[(2S)-1-[(2S,4R)-2-[[1-(cyclopropylsulfonylcarbamoyl)cyclobutyl]carbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2S,4R)-2-[[1-(cyclopropylsulfonylcarbamoyl)cyclobutyl]carbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(2S,4R)-2-[[1-(cyclopropylsulfonylcarbamoyl)cyclobutyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2S,4R)-2-[[[1-[(cyclopropylsulfonylamino)-oxomethyl]cyclobutyl]amino]-oxomethyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(2S,4R)-2-[[1-(cyclopropylsulfonylcarbamoyl)cyclobutyl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2S,4R)-2-[[1-(cyclopropylsulfonylcarbamoyl)cyclobutyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C40H51N5O9S MolecularWeight: 777.92604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CCC2)C(=O)NS(=O)(=O)C3CC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC2(CCC2)C(=O)NS(=O)(=O)C3CC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H51N5O9S/c1-38(2,3)33(42-37(49)54-39(4,5)6)35(47)45-23-26(21-31(45)34(46)43-40(18-11-19-40)36(48)44-55(50,51)27-15-16-27)53-32-22-29(24-12-9-8-10-13-24)41-30-20-25(52-7)14-17-28(30)32/h8-10,12-14,17,20,22,26-27,31,33H,11,15-16,18-19,21,23H2,1-7H3,(H,42,49)(H,43,46)(H,44,48)/t26-,31+,33-/m1/s1