Name: Seco Rapamycin sodium salt
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315007
Cas No:148554-65-8
常用名:Seco Rapamycin sodium salt
别名:Seco雷帕霉素钠盐, Secorapamycin A monosodium
IUPAC:(2S)-1-{2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl]-3-methyloxan-2-yl]-2-oxoacetyl}piperidine-2-carboxylic acid sodium
IUPAC:(2S)-1-{2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl]-3-methyloxan-2-yl]-2-oxoacetyl}piperidine-2-carboxylic acid sodium
InChI key:SETORPHJOULFMF-OWGFPTNRSA-N

分子式:C51H79NNaO13
分子量:937.177
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].CO[C@@H](C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(O)=O)C(\C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(\C)=C\[C@@H](C)C(=O)\C=C\[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OCjcExt:v:0:0
SMILES:[Na].CO[C@@H](C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(O)=O)C(\C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(\C)=C\[C@@H](C)C(=O)\C=C\[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OCjcExt:v:0:0

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