Name: Cyclosporin C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316793
Cas No:59787-61-0
常用名:Cyclosporin C
别名:环孢菌素 C, Cyclosporin-C, Cs-C, CsC
IUPAC:(6S,9S,12R,15S,18S,24S,30S,33R)-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-30-[(1R)-1-hydroxyethyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC:(6S,9S,12R,15S,18S,24S,30S,33R)-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-30-[(1R)-1-hydroxyethyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
InChI key:JTOKYIBTLUQVQV-PAFXGEOWSA-N

分子式:C62H111N11O13
分子量:1218.634
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)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)C1=O)C(C)C)[C@@H](C)O |@:20,82|
SMILES:[H][C@]1(NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)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)C1=O)C(C)C)[C@@H](C)O |@:20,82|

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