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]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]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]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]-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]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]carbazole-9-carboxamide Formula: C39H46F2N6O7S MolecularWeight: 780.880346

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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)NC(=O)N5C6=CC=CC=C6C7=CC=CC=C75

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)NC(=O)N5C6=CC=CC=C6C7=CC=CC=C75

InChI

InChI=1S/C39H46F2N6O7S/c1-5-23-20-39(23,35(51)44-55(53,54)25-14-15-25)43-33(49)31-18-24(42-36(52)47-29-12-8-6-10-26(29)27-11-7-9-13-30(27)47)21-46(31)34(50)28(37(2,3)4)19-32(48)45-17-16-38(40,41)22-45/h5-13,23-25,28,31H,1,14-22H2,2-4H3,(H,42,52)(H,43,49)(H,44,51)/t23?,24-,28-,31+,39-/m1/s1