Name: Isocyclosporin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316757
Cas No:59865-16-6
常用名:Isocyclosporin A
别名:Isocyclosporin-A, IsocyclosporinA
IUPAC:30-ethyl-34-(hex-4-en-2-yl)-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC:30-ethyl-34-(hex-4-en-2-yl)-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
InChI key:QEKLELUAISGHEL-UHFFFAOYSA-N

分子式:C62H111N11O12
分子量:1202.635
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC1NC(=O)C(NC)C(OC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)C(C)CC=CC |w:83.84|
SMILES:CCC1NC(=O)C(NC)C(OC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)C(C)CC=CC |w:83.84|

Isocyclosporin A is a rearranged degradation product. It is formed by acid treatment of cyclosporin A under aqueous and non-aqueous conditions.

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