Chem
J-GLOBAL ID:200907050885747792   Nikkaji number:J701.099K

2-(tert-Butyldiphenylsiloxymethyl)-5-[N-[[(3S,4S)-4-[(tert-butyloxycarbonyl)amino]-3-hydroxy-5-phenylvaleryl]-L-Phe-L-Leu-L-Phe-]cytosin-1-yl]-1,3-oxathiolane

2-(tert-ブチルジフェニルシロキシメチル)-5-[N-[[(3S,4S)-4-[(tert-ブチルオキシカルボニル)アミノ]-3-ヒドロキシ-5-フェニルバレリル]-L-Phe-L-Leu-L-Phe-]シトシン-1-イル]-1,3-オキサチオラン
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: C64H79N7O10SSi
Molecular formula furigana: C64-H79-N7-O10-S-SI
Molecular weight: 1166.520
InChI: InChI=1S/C64H79N7O10SSi/c1-43(2)36-50(66-59(75)51(38-45-26-16-10-17-27-45)65-55(73)40-53(72)49(37-44-24-14-9-15-25-44)68-62(78)81-63(3,4)5)58(74)67-52(39-46-28-18-11-19-29-46)60(76)69-54-34-35-71(61(77)70-54)56-42-82-57(80-56)41-79-83(64(6,7)8,47-30-20-12-21-31-47)48-32-22-13-23-33-48/h9-35,43,49-53,56-57,72H,36-42H2,1-8H3,(H,65,73)(H,66,75)(H,67,74)(H,68,78)(H,69,70,76,77)/t49-,50-,51-,52-,53-,56?,57?/m0/s1
InChI key: WHGLLFGCAKWIKK-SHHGUHGBSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccn(C2CSC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)n1
Systematic name  (3):
  • 2-(tert-ブチルジフェニルシロキシメチル)-5-[N-[[(3S,4S)-4-[(tert-ブチルオキシカルボニル)アミノ]-3-ヒドロキシ-5-フェニルバレリル]-L-Phe-L-Leu-L-Phe-]シトシン-1-イル]-1,3-オキサチオラン
  • tert-ブチル N-[(2S,3S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[1-(2-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-1,3-オキサチオラン-5-イル)-2-オキソ-1,2-ジヒドロピリミジン-4-イル]カルバモイル}-2-フェニルエチル]カルバモイル}-3-メチルブチル]カルバモイル}-2-フェニルエチル]カルバモイル}-3-ヒドロキシ-1-フェニルブタン-2-イル]カルバマート
  • tert-butyl N-[(2S,3S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[1-(2-{[(tert-butyldiphenylsilyl)oxy]methyl}-1,3-oxathiolan-5-yl)-2-oxo-1,2-dihydropyrimidin-4-yl]carbamoyl}-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Other name (1):
  • 2-(tert-Butyldiphenylsiloxymethyl)-5-[N-[[(3S,4S)-4-[(tert-butyloxycarbonyl)amino]-3-hydroxy-5-phenylvaleryl]-L-Phe-L-Leu-L-Phe-]cytosin-1-yl]-1,3-oxathiolane
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