tert-butyl N-[1-[2-[[2-ethenyl-1-[(1-prop-1-en-2-ylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]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-[1-[2-[[2-ethenyl-1-[(1-prop-1-en-2-ylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]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-[1-[2-[[1-[(1-isopropenylcyclopropyl)sulfonylcarbamoyl]-2-vinyl-cyclopropyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[1-[2-[[[2-ethenyl-1-[[[1-(1-methylethenyl)cyclopropyl]sulfonylamino]-oxomethyl]cyclopropyl]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-[1-[2-[[2-ethenyl-1-[(1-prop-1-en-2-ylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[[1-[(1-isopropenylcyclopropyl)sulfonylcarbamoyl]-2-vinyl-cyclopropyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C44H55N5O9S MolecularWeight: 830.0006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1(CC1)S(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6

Isomeric SMILES

CC(=C)C1(CC1)S(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6

InChI

InChI=1S/C44H55N5O9S/c1-11-28-24-44(28,39(52)48-59(54,55)43(19-20-43)26(2)3)47-37(50)34-22-30(25-49(34)38(51)36(41(4,5)6)46-40(53)58-42(7,8)9)57-35-23-32(27-15-13-12-14-16-27)45-33-21-29(56-10)17-18-31(33)35/h11-18,21,23,28,30,34,36H,1-2,19-20,22,24-25H2,3-10H3,(H,46,53)(H,47,50)(H,48,52)