Chem
J-GLOBAL ID:200907074917222235   Nikkaji number:J895.278G

(2S,3R,4S,5S)-1-[2-(Ethoxycarbonyl)-3-oxo-3-ethoxy-1-propenyl]-2-methoxy-5-[(S)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol 3,4-bis(methanesulfonate)

1,3-ジエチル 2-{[(2S,3S,4R,5S)-2-[(1S)-1,2-ジヒドロキシエチル]-3,4-ビス(メタンスルホニルオキシ)-5-メトキシピロリジン-1-イル]メチリデン}プロパンジオアート
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: C17H29NO13S2
Molecular formula furigana: C17-H29-N-O13-S2
Molecular weight: 519.530
InChI: InChI=1S/C17H29NO13S2/c1-6-28-16(21)10(17(22)29-7-2)8-18-12(11(20)9-19)13(30-32(4,23)24)14(15(18)27-3)31-33(5,25)26/h8,11-15,19-20H,6-7,9H2,1-5H3/t11-,12+,13+,14-,15+/m1/s1
InChI key: GYPKZYJOGFNGIL-FQKPHLNHSA-N
SMILES: CCOC(=O)C(=CN1[C@@H](OC)[C@H](OS(=O)(=O)C)[C@@H](OS(=O)(=O)C)[C@@H]1[C@H](O)CO)C(=O)OCC
Systematic name  (3):
  • (2S,3R,4S,5S)-1-[2-(エトキシカルボニル)-3-オキソ-3-エトキシ-1-プロペニル]-2-メトキシ-5-[(S)-1,2-ジヒドロキシエチル]ピロリジン-3,4-ジオール3,4-ビス(メタンスルホナート)
  • 1,3-ジエチル 2-{[(2S,3S,4R,5S)-2-[(1S)-1,2-ジヒドロキシエチル]-3,4-ビス(メタンスルホニルオキシ)-5-メトキシピロリジン-1-イル]メチリデン}プロパンジオアート
  • 1,3-diethyl 2-{[(2S,3S,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(methanesulfonyloxy)-5-methoxypyrrolidin-1-yl]methylidene}propanedioate
Other name (1):
  • (2S,3R,4S,5S)-1-[2-(Ethoxycarbonyl)-3-oxo-3-ethoxy-1-propenyl]-2-methoxy-5-[(S)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol 3,4-bis(methanesulfonate)
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