Chem
J-GLOBAL ID：201107010920899459
Nikkaji number：J2.955.246K
Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(L-tryptophylthio)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-トリプトフィルチオ)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 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
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
Molecular formula： C32H46N9O17P3S
Molecular formula furigana： C32-H46-N9-O17-P3-S
Molecular weight： 953.750
InChI：
InChI=1S/C32H46N9O17P3S/c1-32(2,26(44)29(45)36-8-7-22(42)35-9-10-62-31(46)19(33)11-17-12-37-20-6-4-3-5-18(17)20)14-55-61(52,53)58-60(50,51)54-13-21-25(57-59(47,48)49)24(43)30(56-21)41-16-40-23-27(34)38-15-39-28(23)41/h3-6,12,15-16,19,21,24-26,30,37,43-44H,7-11,13-14,33H2,1-2H3,(H,35,42)(H,36,45)(H,50,51)(H,52,53)(H2,34,38,39)(H2,47,48,49)/t19-,21+,24+,25+,26?,30+/m0/s1
InChI key：
UFMRCTGEYQRSER-UHEKYNETSA-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)Cc1c[nH]c2ccccc12
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-トリプトフィルチオ)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-(1H-インドール-3-イル)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-(1H-indol-3-yl)propanoyl]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
- Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(L-tryptophylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
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