tert-butyl N-[1-[2-[[2-ethenyl-1-[[1-[(2-fluorophenyl)methyl]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-[(2-fluorophenyl)methyl]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-[(2-fluorophenyl)methyl]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-[[[1-[(2-fluorophenyl)methyl]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-[(2-fluorophenyl)methyl]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-(2-fluorobenzyl)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: C48H56FN5O9S MolecularWeight: 898.049743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3(CC3)CC4=CC=CC=C4F)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3(CC3)CC4=CC=CC=C4F)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7)NC(=O)OC(C)(C)C

InChI

InChI=1S/C48H56FN5O9S/c1-9-31-27-48(31,43(57)53-64(59,60)47(21-22-47)26-30-17-13-14-18-35(30)49)52-41(55)38-24-33(28-54(38)42(56)40(45(2,3)4)51-44(58)63-46(5,6)7)62-39-25-36(29-15-11-10-12-16-29)50-37-23-32(61-8)19-20-34(37)39/h9-20,23,25,31,33,38,40H,1,21-22,24,26-28H2,2-8H3,(H,51,58)(H,52,55)(H,53,57)