Chem
J-GLOBAL ID：200907031381651340   Nikkaji number：J2.202.998C

(2S,3R,5S)-1-(3-Bromophenyl)-2-(2,6-dimethylphenoxyacetylamino)-5-(4-fluorophenylsulfonyl)-7-methyl-3-octanol

(2S,3R,5S)-1-(3-ブロモフェニル)-2-(2,6-ジメチルフェノキシアセチルアミノ)-5-(4-フルオロフェニルスルホニル)-7-メチル-3-オクタノール
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： C31H37BrFNO5S
Molecular formula furigana： C31-H37-BR-F-N-O5-S
Molecular weight： 634.600
InChI： InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m0/s1
InChI key： RVHWPGAHEOLZNT-YTCPBCGMSA-N
SMILES： CC(C)C[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1
Systematic name  (4)：
  • N-[(1S,2R,4S)-1-(3-ブロモベンジル)-2-ヒドロキシ-4-(4-フルオロフェニルスルホニル)-6-メチルヘプチル]-2,6-ジメチルフェノキシアセトアミド
  • (2S,3R,5S)-1-(3-ブロモフェニル)-2-(2,6-ジメチルフェノキシアセチルアミノ)-5-(4-フルオロフェニルスルホニル)-7-メチル-3-オクタノール
  • N-[(2S,3R,5S)-1-(3-ブロモフェニル)-5-(4-フルオロベンゼンスルホニル)-3-ヒドロキシ-7-メチルオクタン-2-イル]-2-(2,6-ジメチルフェノキシ)アセトアミド
  • N-[(2S,3R,5S)-1-(3-bromophenyl)-5-(4-fluorobenzenesulfonyl)-3-hydroxy-7-methyloctan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
Other name (2)：
  • N-[(1S,2R,4S)-1-(3-Bromobenzyl)-2-hydroxy-4-(4-fluorophenylsulfonyl)-6-methylheptyl]-2,6-dimethylphenoxyacetamide
  • (2S,3R,5S)-1-(3-Bromophenyl)-2-(2,6-dimethylphenoxyacetylamino)-5-(4-fluorophenylsulfonyl)-7-methyl-3-octanol
Thsaurus map：
Thesaurus Map

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