Chem
J-GLOBAL ID:200907035725992350
Nikkaji number:J264.889J
Adenosine 3′-phosphoric acid 5′-diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[2-(2-mercaptoethylcarbamoyl)ethylcarbamoyl]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-メルカプトエチルカルバモイル)エチルカルバモイル]プロピル]
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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:
C21 H36 N7 O16 P3 S
Molecular formula furigana:
C21-H36-N7-O16-P3-S
Molecular weight:
767.530
InChI:
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1
InChI key:
RGJOEKWQDUBAIZ-DRCCLKDXSA-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)NCCS
Systematic name (6):
アデノシン3′-りん酸5′-[二りん酸P2 -[3-ヒドロキシ-2,2-ジメチル-3-[[2-[(2-メルカプトエチル)カルバモイル]エチル]カルバモイル]プロピル]]
アデノシン3′-りん酸5′-[二りん酸P2 -[3-[[2-[(2-メルカプトエチル)カルバモイル]エチル]カルバモイル]-3-ヒドロキシ-2,2-ジメチルプロピル]]
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-メルカプトエチルカルバモイル)エチルカルバモイル]プロピル]
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-4-(3-オキソ-3-(2-メルカプトエチルアミノ)プロピルアミノ)-4-オキソブチル))
{[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-2-({[ヒドロキシ({ヒドロキシ[3-ヒドロキシ-2,2-ジメチル-3-({2-[(2-スルファニルエチル)カルバモイル]エチル}カルバモイル)プロポキシ]ホスホリル}オキシ)ホスホリル]オキシ}メチル)オキソラン-3-イル]オキシ}ホスホン酸
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
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Other name (3):
Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2 -[3-[[2-[(2-mercaptoethyl)carbamoyl]ethyl]carbamoyl]-3-hydroxy-2,2-dimethylpropyl]] ester
Adenosine 3′-phosphoric acid 5′-diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[2-(2-mercaptoethylcarbamoyl)ethylcarbamoyl]propyl] ester
Adenosine 3′-phosphoric acid 5′-(diphosphoric acid P2 -(2,2-dimethyl-3-hydroxy-4-(3-oxo-3-(2-mercaptoethylamino)propylamino)-4-oxobutyl)) ester
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