Name: 5'-DMT-3'-CE-2'-TBDMS cyanoethoxycarbonyl-adenosine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772885
Cas No:1582753-53-4
常用名:5'-DMT-3'-CE-2'-TBDMS cyanoethoxycarbonyl-adenosine
常用名:5'-DMT-3'-CE-2'-TBDMS cyanoethoxycarbonyl-adenosine
IUPAC:2-cyanoethyl N-{9-[(2R,3R,4R,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)-3-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]-9H-purin-6-yl}carbamate
IUPAC:2-cyanoethyl N-{9-[(2R,3R,4R,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)-3-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]-9H-purin-6-yl}carbamate
InChI key:InChIKey=SZZGMDNQDVMWIK-XKEHYBHISA-N

分子式:C50H65N8O9PSi
分子量:981.176
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(cc1)C(OC[C@H]1O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cnc2c(NC(=O)OCCC#N)ncnc12)(c1ccccc1)c1ccc(OC)cc1
SMILES:COc1ccc(cc1)C(OC[C@H]1O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cnc2c(NC(=O)OCCC#N)ncnc12)(c1ccccc1)c1ccc(OC)cc1

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