tert-butyl N-[1-[2-[[2-ethenyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]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-(propan-2-yloxymethyl)cyclopropyl]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-(isopropoxymethyl)cyclopropyl]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-[oxo-[[1-(propan-2-yloxymethyl)cyclopropyl]sulfonylamino]methyl]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-(propan-2-yloxymethyl)cyclopropyl]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-(isopropoxymethyl)cyclopropyl]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: C45H59N5O10S MolecularWeight: 862.04246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1(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)OCC1(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/C45H59N5O10S/c1-11-29-24-45(29,40(53)49-61(55,56)44(19-20-44)26-58-27(2)3)48-38(51)35-22-31(25-50(35)39(52)37(42(4,5)6)47-41(54)60-43(7,8)9)59-36-23-33(28-15-13-12-14-16-28)46-34-21-30(57-10)17-18-32(34)36/h11-18,21,23,27,29,31,35,37H,1,19-20,22,24-26H2,2-10H3,(H,47,54)(H,48,51)(H,49,53)