Chem
J-GLOBAL ID:200907071886298336   Nikkaji number:J1.128.490F

(3S,4S)-5-Methyl-4-(tert-butoxycarbonylamino)-1-hexyne-3-ol

[(1S,2S)-1-イソプロピル-2-ヒドロキシ-3-ブチニル]カルバミド酸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: C12H21NO3
Molecular formula furigana: C12-H21-N-O3
Molecular weight: 227.304
InChI: InChI=1S/C12H21NO3/c1-7-9(14)10(8(2)3)13-11(15)16-12(4,5)6/h1,8-10,14H,2-6H3,(H,13,15)/t9-,10-/m0/s1
InChI key: WCNQADJJMBXONZ-UWVGGRQHSA-N
SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#C
Systematic name  (5):
  • N-[(1S,2S)-1-イソプロピル-2-ヒドロキシ-3-ブチニル]カルバミド酸tert-ブチル
  • [(1S,2S)-1-イソプロピル-2-ヒドロキシ-3-ブチニル]カルバミド酸tert-ブチル
  • (3S,4S)-5-メチル-4-(tert-ブトキシカルボニルアミノ)-1-ヘキシン-3-オール
  • tert-ブチル N-[(3S,4S)-4-ヒドロキシ-2-メチルヘキサ-5-イン-3-イル]カルバマート
  • tert-butyl N-[(3S,4S)-4-hydroxy-2-methylhex-5-yn-3-yl]carbamate
Other name (3):
  • N-[(1S,2S)-1-Isopropyl-2-hydroxy-3-butynyl]carbamic acid tert-butyl ester
  • [(1S,2S)-1-Isopropyl-2-hydroxy-3-butynyl]carbamic acid tert-butyl ester
  • (3S,4S)-5-Methyl-4-(tert-butoxycarbonylamino)-1-hexyne-3-ol
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