Chemical Compound

diethyl (2-{1-[(1R,3aS,3bR,4R,7R,9aS,9bS,11aR)-1-[(2R)-4-[(2-{[6-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}oxy)hex-1-en-1-yl]sulfanyl}ethyl)carbamoyl]butan-2-yl]-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1H-1,2,3-triazol-4-yl}-1-(diethoxyphosphoryl)ethyl)phosphonate

diethyl (2-{1-[(1R,3aS,3bR,4R,7R,9aS,9bS,11aR)-1-[(2R)-4-[(2-{[6-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}oxy)hex-1-en-1-yl]sulfanyl}ethyl)carbamoyl]butan-2-yl]-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1H-1,2,3-triazol-4-yl}-1-(diethoxyphosphoryl)ethyl)phosphonate 结构式
Primary record

diethyl (2-{1-[(1R,3aS,3bR,4R,7R,9aS,9bS,11aR)-1-[(2R)-4-[(2-{[6-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}oxy)hex-1-en-1-yl]sulfanyl}ethyl)carbamoyl]butan-2-yl]-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1H-1,2,3-triazol-4-yl}-1-(diethoxyphosphoryl)ethyl)phosphonate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
132607545
SMILES
CCOP(=O)(C(CC1=CN(N=N1)[C@@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4[C@@H](CC3C2)O)CC[C@@H]5[C@H](C)CCC(=O)NCCS/C=C/CCCCOS(=O)(=O)C6=CC=CC7=C6C=CC=C7N(C)C)C)C)P(=O)(OCC)OCC)OCC
Canonical SMILES
CCOP(=O)(OCC)C(Cc1cn([C@@H]2CC[C@@]3(C)C(C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(=O)NCCS/C=C/CCCCOS(=O)(=O)c5cccc6c(N(C)C)cccc56)[C@@]4(C)CC[C@@H]23)nn1)P(=O)(OCC)OCC

名称与同义词

  • J3.655.227A
  • diethyl (2-{1-[(1R,3aS,3bR,4R,7R,9aS,9bS,11aR)-1-[(2R)-4-[(2-{[6-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}oxy)hex-1-en-1-yl]sulfanyl}ethyl)carbamoyl]butan-2-yl]-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1H-1,2,3-triazol-4-yl}-1-(diethoxyphosphoryl)ethyl)phosphonate
  • N-[2-[[6-[[5-(Dimethylamino)-1-naphthyl]sulfonyloxy]-1-hexenyl]thio]ethyl]-7alpha-hydroxy-3alpha-[4-[2,2-bis(diethoxyphosphinyl)ethyl]-1H-1,2,3-triazole-1-yl]cholane-24-oic amide