tert-butyl N-[1-[2-[[1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]cyclopropyl]sulfonylcarbamoyl]-2-ethenyl-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-[[1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]cyclopropyl]sulfonylcarbamoyl]-2-ethenyl-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-[(3,5-dimethylisoxazol-4-yl)carbamoyl]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-[[[1-[[[1-[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]cyclopropyl]sulfonylamino]-oxomethyl]-2-ethenylcyclopropyl]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-[[1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]cyclopropyl]sulfonylcarbamoyl]-2-ethenylcyclopropyl]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-[(3,5-dimethylisoxazol-4-yl)carbamoyl]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: C47H57N7O11S MolecularWeight: 928.06078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2(CC2)S(=O)(=O)NC(=O)C3(CC3C=C)NC(=O)C4CC(CN4C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2(CC2)S(=O)(=O)NC(=O)C3(CC3C=C)NC(=O)C4CC(CN4C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7

InChI

InChI=1S/C47H57N7O11S/c1-11-29-24-47(29,42(58)53-66(60,61)46(19-20-46)41(57)49-37-26(2)52-65-27(37)3)51-39(55)35-22-31(25-54(35)40(56)38(44(4,5)6)50-43(59)64-45(7,8)9)63-36-23-33(28-15-13-12-14-16-28)48-34-21-30(62-10)17-18-32(34)36/h11-18,21,23,29,31,35,38H,1,19-20,22,24-25H2,2-10H3,(H,49,57)(H,50,59)(H,51,55)(H,53,58)