INI-4001
HIT218903942
sdf文件结构编辑类似物检索
HIT ID: HIT218903942
Cas No:
分子式: C59H109N6O13P
分子量: 1141.524
常用名: INI-4001
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {2-[4-({6-amino-8-oxo-2-[(2S)-pentan-2-yloxy]-8,9-dihydro-7H-purin-9-yl}methyl)piperidin-1-yl]ethoxy}[2-(2-{2-[(2S)-2,3-bis(hexadecanoyloxy)propoxy]ethoxy}ethoxy)ethoxy]phosphinic acid
IUPAC: {2-[4-({6-amino-8-oxo-2-[(2S)-pentan-2-yloxy]-8,9-dihydro-7H-purin-9-yl}methyl)piperidin-1-yl]ethoxy}[2-(2-{2-[(2S)-2,3-bis(hexadecanoyloxy)propoxy]ethoxy}ethoxy)ethoxy]phosphinic acid
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCOCCOCCOP(O)(=O)OCCN1CCC(Cn2c3nc(O[C@@H](C)CCC)nc(N)c3[nH]c2=O)CC1)OC(=O)CCCCCCCCCCCCCCC
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCOCCOCCOP(O)(=O)OCCN1CCC(Cn2c3nc(O[C@@H](C)CCC)nc(N)c3[nH]c2=O)CC1)OC(=O)CCCCCCCCCCCCCCC
InChI key: PGHXDXJDKBHTAD-WAEHRUBESA-N
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