Chem
J-GLOBAL ID:200907027148618459   Nikkaji number:J1.554.301I

(5S)-4-[(S)-2-Hydroxy-2-phenyl-4-methyl-4-pentenoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide

(5S)-4-[(S)-2-ヒドロキシ-2-フェニル-4-メチル-4-ペンテノイル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン3,3-ジオキシド
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: C22H29NO2[O-]2[S+2]
Molecular formula furigana: C22-H29-N-O4-S
Molecular weight: 403.540
InChI: InChI=1S/C22H29NO4S/c1-15(2)13-22(25,16-8-6-5-7-9-16)19(24)23-18-12-17-10-11-21(18,20(17,3)4)14-28(23,26)27/h5-9,17-18,25H,1,10-14H2,2-4H3/t17?,18-,21?,22-/m0/s1
InChI key: XQCYWDRJAWLRRR-JLPSEHFJSA-N
SMILES: CC(=C)C[C@@](O)(C(=O)N1[C@H]2CC3CCC2(C[S+2]1([O-])[O-])C3(C)C)c1ccccc1
Systematic name  (3):
  • (5S)-4-[(S)-2-ヒドロキシ-2-フェニル-4-メチル-4-ペンテノイル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン3,3-ジオキシド
  • (5S)-4-[(2S)-2-ヒドロキシ-4-メチル-2-フェニルペンタ-4-エノイル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン-3,3-ジイウム-3,3-ビス(オラート)
  • (5S)-4-[(2S)-2-hydroxy-4-methyl-2-phenylpent-4-enoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (1):
  • (5S)-4-[(S)-2-Hydroxy-2-phenyl-4-methyl-4-pentenoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
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