Chem
J-GLOBAL ID：201107024928105762   Nikkaji number：J2.955.245B

Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(L-phenylalanylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester

アデノシン3′-りん酸5′-[二りん酸P2-[2,2-ジメチル-3-ヒドロキシ-3-[[2-[[2-(L-フェニルアラニルチオ)エチル]アミノカルボニル]エチル]アミノカルボニル]プロピル]]
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： C30H45N8O17P3S
Molecular formula furigana： C30-H45-N8-O17-P3-S
Molecular weight： 914.710
InChI： InChI=1S/C30H45N8O17P3S/c1-30(2,24(41)27(42)34-9-8-20(39)33-10-11-59-29(43)18(31)12-17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-23(54-56(44,45)46)22(40)28(53-19)38-16-37-21-25(32)35-15-36-26(21)38/h3-7,15-16,18-19,22-24,28,40-41H,8-14,31H2,1-2H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t18-,19+,22+,23+,24?,28+/m0/s1
InChI key： GGOOLELBJVBBGP-NNYWGKIISA-N
SMILES： CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](N)Cc1ccccc1
Systematic name  (3)：
  • アデノシン3′-りん酸5′-[二りん酸P2-[2,2-ジメチル-3-ヒドロキシ-3-[[2-[[2-(L-フェニルアラニルチオ)エチル]アミノカルボニル]エチル]アミノカルボニル]プロピル]]
  • {[(2R,3S,4R,5R)-2-({[({[3-({2-[(2-{[(2S)-2-アミノ-3-フェニルプロパノイル]スルファニル}エチル)カルバモイル]エチル}カルバモイル)-3-ヒドロキシ-2,2-ジメチルプロポキシ](ヒドロキシ)ホスホリル}オキシ)(ヒドロキシ)ホスホリル]オキシ}メチル)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシオキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,4R,5R)-2-({[({[3-({2-[(2-{[(2S)-2-amino-3-phenylpropanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Other name (1)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(L-phenylalanylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
Thsaurus map：
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