Chem
J-GLOBAL ID：201707020855391710   Nikkaji number：J3.665.048F

Voxilaprevir

ボキシラプレビル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H52F4N6O9S
Molecular formula furigana： C40-H52-F4-N6-O9-S
Molecular weight： 868.940
InChI： InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1
InChI key： MZBLZLWXUBZHSL-FZNJKFJKSA-N
SMILES： CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Systematic name  (3)：
  • (3S,7R,9R,26R,27S,28S)-28-[[1α-[[(1-メチルシクロプロピル)スルホニルアミノ]カルボニル]-2α-(ジフルオロメチル)シクロプロパン-1-イル]アミノカルボニル]-3-tert-ブチル-14,14-ジフルオロ-20-メトキシ-27-エチル-6,25-ジオキサ-1,4,16,23-テトラアザペンタシクロ[24.2.1.07,9.015,24.017,22]ノナコサン-15,17(22),18,20,23-ペンタエン-2,5-ジオン
  • (1R,18R,20R,24S,27S,28S)-24-tert-ブチル-N-[(1R,2R)-2-(ジフルオロメチル)-1-{[(1-メチルシクロプロピル)スルホニル]カルバモイル}シクロプロピル]-28-エチル-13,13-ジフルオロ-7-メトキシ-22,25-ジオキソ-2,21-ジオキサ-4,11,23,26-テトラアザペンタシクロ[24.2.1.03,12.05,10.018,20]ノナコサ-3(12),4,6,8,10-ペンタエン-27-カルボキサミド
  • (1R,18R,20R,24S,27S,28S)-24-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3(12),4,6,8,10-pentaene-27-carboxamide
Other name (3)：
  • (3S,7R,9R,26R,27S,28S)-28-[[1α-[[(1-Methylcyclopropyl)sulfonylamino]carbonyl]-2α-(difluoromethyl)cyclopropane-1-yl]aminocarbonyl]-3-tert-butyl-14,14-difluoro-20-methoxy-27-ethyl-6,25-dioxa-1,4,16,23-tetraazapentacyclo[24.2.1.07,9.015,24.017,22]nonacosane-15,17(22),18,20,23-pentaene-2,5-dione
  • ボキシラプレビル
  • Voxilaprevir
CAS registry number： 1535212-07-7
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