Chem
J-GLOBAL ID:200907014997542186   Nikkaji number:J1.770.728K

[(2R)-2-[[2-[2-[2-[5-[[(3aβ,4S,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole]-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]carbamoyl]-2-hydroxyethyl]carbamic acid 2-methoxy-4-(1-methoxy-2,2,2-trifluoroethyl)benzyl ester

[(2R)-2-[[2-[2-[2-[5-[[(3aβ,4S,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール]-4-イル]ペンタノイルアミノ]エトキシ]エトキシ]エチル]カルバモイル]-2-ヒドロキシエチル]カルバミド酸2-メトキシ-4-(1-メトキシ-2,2,2-トリフルオロエチル)ベンジル
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: C31H46F3N5O10S
Molecular formula furigana: C31-H46-F3-N5-O10-S
Molecular weight: 737.790
InChI: InChI=1S/C31H46F3N5O10S/c1-45-23-15-19(27(46-2)31(32,33)34)7-8-20(23)17-49-30(44)37-16-22(40)28(42)36-10-12-48-14-13-47-11-9-35-25(41)6-4-3-5-24-26-21(18-50-24)38-29(43)39-26/h7-8,15,21-22,24,26-27,40H,3-6,9-14,16-18H2,1-2H3,(H,35,41)(H,36,42)(H,37,44)(H2,38,39,43)/t21-,22+,24-,26-,27?/m0/s1
InChI key: RWQXKVWGEOKLPW-GUDZFNSISA-N
SMILES: COC(c1ccc(COC(=O)NC[C@@H](O)C(=O)NCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c(OC)c1)C(F)(F)F
Systematic name  (3):
  • [(2R)-2-[[2-[2-[2-[5-[[(3aβ,4S,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール]-4-イル]ペンタノイルアミノ]エトキシ]エトキシ]エチル]カルバモイル]-2-ヒドロキシエチル]カルバミド酸2-メトキシ-4-(1-メトキシ-2,2,2-トリフルオロエチル)ベンジル
  • [2-メトキシ-4-(2,2,2-トリフルオロ-1-メトキシエチル)フェニル]メチル N-[(2R)-2-({2-[2-(2-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}エトキシ)エトキシ]エチル}カルバモイル)-2-ヒドロキシエチル]カルバマート
  • [2-methoxy-4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]methyl N-[(2R)-2-({2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethyl}carbamoyl)-2-hydroxyethyl]carbamate
Other name (1):
  • [(2R)-2-[[2-[2-[2-[5-[[(3aβ,4S,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole]-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]carbamoyl]-2-hydroxyethyl]carbamic acid 2-methoxy-4-(1-methoxy-2,2,2-trifluoroethyl)benzyl ester
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