Chem
J-GLOBAL ID：200907051481348416   Nikkaji number：J2.330.595J

SB-275833

レタパムリン
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： C30H47NO4S
Molecular formula furigana： C30-H47-N-O4-S
Molecular weight： 517.770
InChI： InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1
InChI key： STZYTFJPGGDRJD-FJJJPKKESA-N
SMILES： C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSC1C[C@@H]2CC[C@H](C1)N2C
Systematic name  (3)：
  • [[(1R,5S)-8-メチル-8-アザビシクロ[3.2.1]オクタン-3β-イル]チオ]酢酸(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-エテニルデカヒドロ-5-ヒドロキシ-4,6,9,10-テトラメチル-1-オキソ-3a,9-プロパノ-3aH-シクロペンタシクロオクテン-8-イル
  • (1S,2R,3S,4S,6R,7R,8R,14R)-4-エテニル-3-ヒドロキシ-2,4,7,14-テトラメチル-9-オキソトリシクロ[5.4.3.01,8]テトラデカン-6-イル 2-{[(1R,5S)-8-メチル-8-アザビシクロ[3.2.1]オクタン-3-イル]スルファニル}アセタート
  • (1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.01,8]tetradecan-6-yl 2-{[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl}acetate
Other name (4)：
  • [[(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octane-3β-yl]thio]acetic acid (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacyclooctene-8-yl ester
  • レタパムリン
  • Retapamulin
  • SB-275833
CAS registry number： 224452-66-8
KEGG DRUG： D05720
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