Chem
J-GLOBAL ID:200907051042084119   Nikkaji number:J2.015.583C

[(1S,2S,3S)-1-(Phenylsulfinylmethyl)-2-bromo-3-hydroxyheptyl]carbamic acid tert-butyl ester

[(1S,2S,3S)-1-(フェニルスルフィニルメチル)-2-ブロモ-3-ヒドロキシヘプチル]カルバミン酸tert-ブチル
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: C19H30BrNO4S
Molecular formula furigana: C19-H30-BR-N-O4-S
Molecular weight: 448.420
InChI: InChI=1S/C19H30BrNO4S/c1-5-6-12-16(22)17(20)15(21-18(23)25-19(2,3)4)13-26(24)14-10-8-7-9-11-14/h7-11,15-17,22H,5-6,12-13H2,1-4H3,(H,21,23)/t15-,16-,17-,26?/m0/s1
InChI key: MKGPMRYMBCQWAL-YOCUIQRTSA-N
SMILES: CCCC[C@H](O)[C@@H](Br)[C@H](CS(=O)c1ccccc1)NC(=O)OC(C)(C)C
Systematic name  (3):
  • [(1S,2S,3S)-1-(フェニルスルフィニルメチル)-2-ブロモ-3-ヒドロキシヘプチル]カルバミン酸tert-ブチル
  • tert-ブチル N-[(2S,3S,4S)-1-(ベンゼンスルフィニル)-3-ブロモ-4-ヒドロキシオクタン-2-イル]カルバマート
  • tert-butyl N-[(2S,3S,4S)-1-(benzenesulfinyl)-3-bromo-4-hydroxyoctan-2-yl]carbamate
Other name (1):
  • [(1S,2S,3S)-1-(Phenylsulfinylmethyl)-2-bromo-3-hydroxyheptyl]carbamic acid tert-butyl ester
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