Chem
J-GLOBAL ID:200907034591040245   Nikkaji number:J1.171.050F

3′-Azido-3′-deoxythymidine 5′-[[(S)-1-(methylcarbamoyl)-2-phenylethyl]amidophosphoric acid]

3′-アジド-3′-デオキシチミジン5′-[[(S)-1-(メチルカルバモイル)-2-フェニルエチル]アミドりん酸]
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: C20H26N5[N-][N+]O7P
Molecular formula furigana: C20-H26-N7-O7-P
Molecular weight: 507.444
InChI: InChI=1S/C20H26N7O7P/c1-12-10-27(20(30)23-18(12)28)17-9-14(24-26-21)16(34-17)11-33-35(31,32)25-15(19(29)22-2)8-13-6-4-3-5-7-13/h3-7,10,14-17H,8-9,11H2,1-2H3,(H,22,29)(H,23,28,30)(H2,25,31,32)/t14-,15-,16+,17+/m0/s1
InChI key: LAIZPUMVWPGTGK-MWDXBVQZSA-N
SMILES: CNC(=O)[C@H](Cc1ccccc1)NP(=O)(O)OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Systematic name  (5):
  • 3′-アジド-3′-デオキシチミジン5′-[[(S)-1-(メチルカルバモイル)-2-フェニルエチル]アミドりん酸]
  • (S)-N-メチル-2-[ヒドロキシ(3′-アジド-3′-デオキシ-5′-チミジルオキシ)ホスフィニルアミノ]-3-フェニルプロピオンアミド
  • 3′-アジド-3′-デオキシチミジン5′-[N-[(S)-1-(メチルカルバモイル)-2-フェニルエチル]アミドりん酸]
  • {[(2S,3S,5R)-3-アジド-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)オキソラン-2-イル]メトキシ}({[(1S)-1-(メチルカルバモイル)-2-フェニルエチル]アミノ})ホスフィン酸
  • {[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[(1S)-1-(methylcarbamoyl)-2-phenylethyl]amino})phosphinic acid
Other name (3):
  • 3′-Azido-3′-deoxythymidine 5′-[[(S)-1-(methylcarbamoyl)-2-phenylethyl]amidophosphoric acid]
  • (S)-N-Methyl-2-[hydroxy(3′-azido-3′-deoxy-5′-thymidyloxy)phosphinylamino]-3-phenylpropionamide
  • 3′-Azido-3′-deoxythymidine 5′-[N-[(S)-1-(methylcarbamoyl)-2-phenylethyl]amidophosphoric acid]
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