Chem
J-GLOBAL ID:200907026861580465   Nikkaji number:J603.906E

(5S)-6β-(Benzyloxy)-6-(4-methoxyphenyl)-2β-isopropyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one

(5S)-6β-(ベンジルオキシ)-6-(4-メトキシフェニル)-2β-イソプロピル-4-チア-1-アザビシクロ[3.2.0]ヘプタン-7-オン
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: C22H25NO3S
Molecular formula furigana: C22-H25-N-O3-S
Molecular weight: 383.510
InChI: InChI=1S/C22H25NO3S/c1-15(2)19-14-27-21-22(20(24)23(19)21,17-9-11-18(25-3)12-10-17)26-13-16-7-5-4-6-8-16/h4-12,15,19,21H,13-14H2,1-3H3/t19-,21+,22+/m1/s1
InChI key: KXQAZLXJBBUDTQ-HJNYFJLDSA-N
SMILES: COc1ccc(cc1)[C@@]1(OCc2ccccc2)[C@@H]2SC[C@H](C(C)C)N2C1=O
Systematic name  (3):
  • (5S)-6β-(ベンジルオキシ)-6-(4-メトキシフェニル)-2β-イソプロピル-4-チア-1-アザビシクロ[3.2.0]ヘプタン-7-オン
  • (2S,5S,6S)-6-(ベンジルオキシ)-6-(4-メトキシフェニル)-2-(プロパン-2-イル)-4-チア-1-アザビシクロ[3.2.0]ヘプタン-7-オン
  • (2S,5S,6S)-6-(benzyloxy)-6-(4-methoxyphenyl)-2-(propan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
Other name (1):
  • (5S)-6β-(Benzyloxy)-6-(4-methoxyphenyl)-2β-isopropyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
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