N-[(3R,5S)-1-[(2S)-2-[2-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3,3-dimethyl-butanoyl]-5-[[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)carbazole-9-carboxamide

Systemtic Name: N-[(3R,5S)-1-[(2S)-2-[2-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3,3-dimethyl-butanoyl]-5-[[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)carbazole-9-carboxamide Openeye Name: N-[(3R,5S)-5-[[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-1-[(2S)-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxo-ethyl]-3,3-dimethyl-butanoyl]pyrrolidin-3-yl]-N-(2-pyridylmethyl)carbazole-9-carboxamide CAS Name: N-[(3R,5S)-5-[[[(1R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-1-[(2S)-2-[2-(3,3-difluoro-1-pyrrolidinyl)-2-oxoethyl]-3,3-dimethyl-1-oxobutyl]-3-pyrrolidinyl]-N-(2-pyridinylmethyl)-9-carbazolecarboxamide IUPAC Name: N-[(3R,5S)-5-[[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-1-[(2S)-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3,3-dimethylbutanoyl]pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)carbazole-9-carboxamide Traditional Name: N-[(3R,5S)-5-[[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-1-[(2S)-2-[2-(3,3-difluoropyrrolidino)-2-keto-ethyl]-3,3-dimethyl-butanoyl]pyrrolidin-3-yl]-N-(2-pyridylmethyl)carbazole-9-carboxamide Formula: C45H51F2N7O7S MolecularWeight: 871.990946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)N1CCC(C1)(F)F)C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)N(CC5=CC=CC=N5)C(=O)N6C7=CC=CC=C7C8=CC=CC=C86

Isomeric SMILES

CC(C)(C)[C@H](CC(=O)N1CCC(C1)(F)F)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)N(CC5=CC=CC=N5)C(=O)N6C7=CC=CC=C7C8=CC=CC=C86

InChI

InChI=1S/C45H51F2N7O7S/c1-5-28-24-45(28,41(58)50-62(60,61)31-17-18-31)49-39(56)37-22-30(26-53(37)40(57)34(43(2,3)4)23-38(55)51-21-19-44(46,47)27-51)52(25-29-12-10-11-20-48-29)42(59)54-35-15-8-6-13-32(35)33-14-7-9-16-36(33)54/h5-16,20,28,30-31,34,37H,1,17-19,21-27H2,2-4H3,(H,49,56)(H,50,58)/t28?,30-,34-,37+,45-/m1/s1