Chem
J-GLOBAL ID：200907069493034014   Nikkaji number：J245.674E

(+)-S-145

(+)-S-145
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： C20H27NO4S
Molecular formula furigana： C20-H27-N-O4-S
Molecular weight： 377.500
InChI： InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
InChI key： PWTCIBWRMQFJBC-ZEMKZVSASA-N
SMILES： OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1
Systematic name  (8)：
  • (5Z)-7-[(1R,1α,4α)-3β-[(フェニルスルホニル)アミノ]ビシクロ[2.2.1]ヘプタン-2α-イル]-5-ヘプテン酸
  • [Z,(+)]-7-[(1β,4β)-2α-フェニルスルホニルアミノビシクロ[2.2.1]ヘプタン-3β-イル]-5-ヘプテン酸
  • (5Z)-7-[(1S,4R)-2α-(フェニルスルホニルアミノ)ビシクロ[2.2.1]ヘプタン-3β-イル]-5-ヘプテン酸
  • (5Z)-7-[(1α,2α,3β,4α)-3-[(フェニルスルホニル)アミノ]ビシクロ[2.2.1]ヘプタン-2-イル]-5-ヘプテン酸
  • (Z)-7-[(1R,2S,3S,4S)-3-(フェニルスルホニルアミノ)ビシクロ[2.2.1]ヘプタン-2-イル]-5-ヘプテン酸
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Other name (9)：
  • (+)-S-145
  • (5Z)-7-[(1α,2α,3β,4α)-3-[(Phenylsulfonyl)amino]bicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid
  • (5Z)-7-[(1S,4R)-2α-(Phenylsulfonylamino)bicyclo[2.2.1]heptan-3β-yl]-5-heptenoic acid
  • (Z)-7-[(1R,2S,3S,4S)-3-(Phenylsulfonylamino)bicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid
  • ドミトロバン
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