Chem
J-GLOBAL ID：200907097017182173   Nikkaji number：J2.496.955J

(3R)-1-(4-Methoxyphenylsulfonylimino)-3β-(tert-butyldimethylsiloxymethyl)-4α-[2-(4-methoxyphenylsulfonyl)guanidino]octahydropyrrolo[1,2-c]pyrimidine-4aα,5β-diol

(3R)-1-(4-メトキシフェニルスルホニルイミノ)-3β-(tert-ブチルジメチルシロキシメチル)-4α-[2-(4-メトキシフェニルスルホニル)グアニジノ]オクタヒドロピロロ[1,2-c]ピリミジン-4aα,5β-ジオール
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： C29H44N6O9S2Si
Molecular formula furigana： C29-H44-N6-O9-S2-SI
Molecular weight： 712.910
InChI： InChI=1S/C29H44N6O9S2Si/c1-28(2,3)47(6,7)44-18-23-25(32-26(30)33-45(38,39)21-12-8-19(42-4)9-13-21)29(37)24(36)16-17-35(29)27(31-23)34-46(40,41)22-14-10-20(43-5)11-15-22/h8-15,23-25,36-37H,16-18H2,1-7H3,(H,31,34)(H3,30,32,33)/t23-,24-,25-,29-/m0/s1
InChI key： CIFHQZROFZXKSH-MGQBIDJDSA-N
SMILES： COc1ccc(cc1)S(=O)(=O)N=C(N)N[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)NC(=NS(=O)(=O)c2ccc(OC)cc2)N2CC[C@H](O)[C@]12O
Systematic name  (3)：
  • (3R)-1-(4-メトキシフェニルスルホニルイミノ)-3β-(tert-ブチルジメチルシロキシメチル)-4α-[2-(4-メトキシフェニルスルホニル)グアニジノ]オクタヒドロピロロ[1,2-c]ピリミジン-4aα,5β-ジオール
  • N-[(3R,4S,4aR,5S)-3-{[(tert-ブチルジメチルシリル)オキシ]メチル}-4a,5-ジヒドロキシ-1-[(4-メトキシベンゼンスルホニル)イミノ]-オクタヒドロピロロ[1,2-c]ピリミジン-4-イル]-N''-(4-メトキシベンゼンスルホニル)グアニジン
  • N-[(3R,4S,4aR,5S)-3-{[(tert-butyldimethylsilyl)oxy]methyl}-4a,5-dihydroxy-1-[(4-methoxybenzenesulfonyl)imino]-octahydropyrrolo[1,2-c]pyrimidin-4-yl]-N''-(4-methoxybenzenesulfonyl)guanidine
Other name (1)：
  • (3R)-1-(4-Methoxyphenylsulfonylimino)-3β-(tert-butyldimethylsiloxymethyl)-4α-[2-(4-methoxyphenylsulfonyl)guanidino]octahydropyrrolo[1,2-c]pyrimidine-4aα,5β-diol
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