Chem
J-GLOBAL ID：200907026654395925   Nikkaji number：J833.273H

CS-834

CS-834
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： C20H28N2O7S
Molecular formula furigana： C20-H28-N2-O7-S
Molecular weight： 440.510
InChI： InChI=1S/C20H28N2O7S/c1-9-14-13(10(2)23)17(25)22(14)15(16(9)30-11-6-12(24)21-7-11)18(26)28-8-29-19(27)20(3,4)5/h9-11,13-14,23H,6-8H2,1-5H3,(H,21,24)/t9-,10-,11-,13-,14-/m1/s1
InChI key： ZNOVVAJWYUBFMI-JIFFNSBPSA-N
SMILES： C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)S[C@H]1CNC(=O)C1
Systematic name  (3)：
  • (4R,5S,6S)-6-[(R)-1-ヒドロキシエチル]-4-メチル-3-[[(3R)-5-オキソピロリジン-3-イル]チオ]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸(ピバロイルオキシ)メチル
  • [(4R,5S,6S)-6-[(1R)-1-ヒドロキシエチル]-4-メチル-7-オキソ-3-{[(3R)-5-オキソピロリジン-3-イル]スルファニル}-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボニルオキシ]メチル 2,2-ジメチルプロパノアート
  • [(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3R)-5-oxopyrrolidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyloxy]methyl 2,2-dimethylpropanoate
Other name (2)：
  • CS-834
  • (4R,5S,6S)-6-[(R)-1-Hydroxyethyl]-4-methyl-3-[[(3R)-5-oxopyrrolidin-3-yl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (pivaloyloxy)methyl ester
Thsaurus map：
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