Chem
J-GLOBAL ID:200907024944533873   Nikkaji number:J891.739F

N-(Allyloxycarbonyl)-O-[(allyloxy)[N-(phenylacetyl)-3′-O-acetyl-2′-deoxy-5′-adenosyloxy]phosphinyl]-L-Thr-L-Phe-[2-(2-methoxyethoxy)ethyl]OH

N-(アリルオキシカルボニル)-O-[(アリルオキシ)[N-(フェニルアセチル)-3′-O-アセチル-2′-デオキシ-5′-アデノシルオキシ]ホスフィニル]-L-Thr-L-Phe-[2-(2-メトキシエトキシ)エチル]OH
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: C45H56N7O15P
Molecular formula furigana: C45-H56-N7-O15-P
Molecular weight: 965.951
InChI: InChI=1S/C45H56N7O15P/c1-6-18-62-45(57)51-39(43(55)49-34(24-32-14-10-8-11-15-32)44(56)61-23-22-60-21-20-59-5)30(3)67-68(58,63-19-7-2)64-27-36-35(65-31(4)53)26-38(66-36)52-29-48-40-41(46-28-47-42(40)52)50-37(54)25-33-16-12-9-13-17-33/h6-17,28-30,34-36,38-39H,1-2,18-27H2,3-5H3,(H,49,55)(H,51,57)(H,46,47,50,54)/t30-,34+,35+,36-,38-,39+,68?/m1/s1
InChI key: DWLWMYIVARRYOY-ZEJWMAIGSA-N
SMILES: COCCOCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCC=C)[C@@H](C)OP(=O)(OCC=C)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)n1cnc2c(NC(=O)Cc3ccccc3)ncnc12
Systematic name  (3):
  • N-(アリルオキシカルボニル)-O-[(アリルオキシ)[N-(フェニルアセチル)-3′-O-アセチル-2′-デオキシ-5′-アデノシルオキシ]ホスフィニル]-L-Thr-L-Phe-[2-(2-メトキシエトキシ)エチル]OH
  • 2-(2-メトキシエトキシ)エチル (2S)-2-[(2S,3R)-3-[({[(2R,3S,5R)-3-(アセチルオキシ)-5-[6-(2-フェニルアセトアミド)-9H-プリン-9-イル]オキソラン-2-イル]メトキシ}(プロパ-2-エン-1-イルオキシ)ホスホリル)オキシ]-2-{[(プロパ-2-エン-1-イルオキシ)カルボニル]アミノ}ブタンアミド]-3-フェニルプロパノアート
  • 2-(2-methoxyethoxy)ethyl (2S)-2-[(2S,3R)-3-[({[(2R,3S,5R)-3-(acetyloxy)-5-[6-(2-phenylacetamido)-9H-purin-9-yl]oxolan-2-yl]methoxy}(prop-2-en-1-yloxy)phosphoryl)oxy]-2-{[(prop-2-en-1-yloxy)carbonyl]amino}butanamido]-3-phenylpropanoate
Other name (1):
  • N-(Allyloxycarbonyl)-O-[(allyloxy)[N-(phenylacetyl)-3′-O-acetyl-2′-deoxy-5′-adenosyloxy]phosphinyl]-L-Thr-L-Phe-[2-(2-methoxyethoxy)ethyl]OH
Thsaurus map:

Return to Previous Page