Name: Seco Rapamycin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322590
Cas No:147438-27-5
常用名:Seco Rapamycin
别名:Secorapamycin A
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
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
InChI key:ZAVMPSVOEQNVCP-FWSQOCJKSA-N

分子式:C51H79NO13
分子量:914.187
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES: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)OC
SMILES: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)OC

Seco Rapamycin, also known as Secorapamycin A, is a ring-opened derivative derived from Rapamycin. It has been observed that Seco-rapamycin does not impact the function of mTOR.

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