Name: Acetyl-cyclosporin A aldehyde
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847318
Cas No:121584-52-9
常用名:Acetyl-cyclosporin A aldehyde
别名:乙酰环孢素 A 醛
IUPAC:(1R,2R)-1-[(2R,5S,11S,17S,20S,23R,26S,29S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-2-methyl-4-oxobutyl acetate
IUPAC:(1R,2R)-1-[(2R,5S,11S,17S,20S,23R,26S,29S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-2-methyl-4-oxobutyl acetate
InChI key:HPSRJUOXPOJSMJ-OLSDPJTISA-N

分子式:C62H109N11O14
分子量:1232.617
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1([C@H](OC(C)=O)[C@H](C)CC=O)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)C(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C
SMILES:[H][C@@]1([C@H](OC(C)=O)[C@H](C)CC=O)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)C(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C

Acetyl-cyclosporin A aldehyde 是一种环孢菌素A衍生物，是神经钙调蛋白抑制剂和亲环素结合剂，具有潜在的抗炎抗肿瘤和抗病毒活性，可用于研究器官移植和自身免疫疾病。

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