Chem
J-GLOBAL ID：200907093767117840   Nikkaji number：J714.048G

1-[5-O-[Phenoxy[[1-(methoxycarbonyl)-2-methylpropyl]amino]phosphinyl]-2,3-dideoxy-β-D-glycero-penta-2-enofuranosyl]thymine

1-[5-O-[フェノキシ[[1-(メトキシカルボニル)-2-メチルプロピル]アミノ]ホスフィニル]-2,3-ジデオキシ-β-D-glycero-ペンタ-2-エノフラノシル]チミン
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： C22H28N3O8P
Molecular formula furigana： C22-H28-N3-O8-P
Molecular weight： 493.453
InChI： InChI=1S/C22H28N3O8P/c1-14(2)19(21(27)30-4)24-34(29,33-16-8-6-5-7-9-16)31-13-17-10-11-18(32-17)25-12-15(3)20(26)23-22(25)28/h5-12,14,17-19H,13H2,1-4H3,(H,24,29)(H,23,26,28)/t17-,18+,19?,34?/m0/s1
InChI key： MWYOTFYZEYNJJL-WXCWAKMDSA-N
SMILES： COC(=O)C(NP(=O)(OC[C@H]1O[C@H](C=C1)n1cc(C)c(=O)[nH]c1=O)Oc1ccccc1)C(C)C
Systematic name  (3)：
  • 1-[5-O-[フェノキシ[[1-(メトキシカルボニル)-2-メチルプロピル]アミノ]ホスフィニル]-2,3-ジデオキシ-β-D-glycero-ペンタ-2-エノフラノシル]チミン
  • メチル 3-メチル-2-[({[(2S,5R)-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-2,5-ジヒドロフラン-2-イル]メトキシ}(フェノキシ)ホスホリル)アミノ]ブタノアート
  • methyl 3-methyl-2-[({[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy}(phenoxy)phosphoryl)amino]butanoate
Other name (1)：
  • 1-[5-O-[Phenoxy[[1-(methoxycarbonyl)-2-methylpropyl]amino]phosphinyl]-2,3-dideoxy-β-D-glycero-penta-2-enofuranosyl]thymine
Thsaurus map：
Thesaurus Map

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