tert-butyl N-[(2R)-1-[(2S,5R)-2-[[1-(dimethylsulfamoylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-5-quinolin-4-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[(2S,5R)-2-[[1-(dimethylsulfamoylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-5-quinolin-4-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[(2S,5R)-2-[[1-(dimethylsulfamoylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-5-(4-quinolyloxy)pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2R)-1-[(2S,5R)-2-[[[1-[(dimethylsulfamoylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-5-(4-quinolinyloxy)-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[(2S,5R)-2-[[1-(dimethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-5-quinolin-4-yloxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1R)-1-[(2S,5R)-2-[[1-(dimethylsulfamoylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-5-(4-quinolyloxy)pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C33H46N6O8S MolecularWeight: 686.81874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1C(CCC1OC2=CC=NC3=CC=CC=C32)C(=O)NC4(CC4C=C)C(=O)NS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@H](C(=O)N1[C@@H](CC[C@H]1OC2=CC=NC3=CC=CC=C32)C(=O)NC4(CC4C=C)C(=O)NS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H46N6O8S/c1-10-20-19-33(20,29(42)37-48(44,45)38(8)9)36-27(40)23-15-16-25(46-24-17-18-34-22-14-12-11-13-21(22)24)39(23)28(41)26(31(2,3)4)35-30(43)47-32(5,6)7/h10-14,17-18,20,23,25-26H,1,15-16,19H2,2-9H3,(H,35,43)(H,36,40)(H,37,42)/t20?,23-,25+,26-,33?/m0/s1