Name: (1S,3S,5S,6S,7R,9R,10S,13R)-9-{1,3-dioxo-2-phenyl-5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-6-yl}-3,5-dihydroxy-6,10,13-trimethyl-4-oxotricyclo[4.4.3.0^{1,5}]tridecan-7-yl 2-chloroacetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887071
Cas No:2505218-38-0
常用名:(1S,3S,5S,6S,7R,9R,10S,13R)-9-{1,3-dioxo-2-phenyl-5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-6-yl}-3,5-dihydroxy-6,10,13-trimethyl-4-oxotricyclo[4.4.3.0^{1,5}]tridecan-7-yl 2-chloroacetate
常用名:(1S,3S,5S,6S,7R,9R,10S,13R)-9-{1,3-dioxo-2-phenyl-5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-6-yl}-3,5-dihydroxy-6,10,13-trimethyl-4-oxotricyclo[4.4.3.0^{1,5}]tridecan-7-yl 2-chloroacetate
IUPAC:(1S,3S,5S,6S,7R,9R,10S,13R)-9-{1,3-dioxo-2-phenyl-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-6-yl}-3,5-dihydroxy-6,10,13-trimethyl-4-oxotricyclo[4.4.3.0^{1,5}]tridecan-7-yl 2-chloroacetate
IUPAC:(1S,3S,5S,6S,7R,9R,10S,13R)-9-{1,3-dioxo-2-phenyl-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-6-yl}-3,5-dihydroxy-6,10,13-trimethyl-4-oxotricyclo[4.4.3.0^{1,5}]tridecan-7-yl 2-chloroacetate
InChI key:LLYJISDUHFXOHK-GOCONZMPSA-N

分子式:C30H36ClN3O7
分子量:586.08
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1CC[C@@]23C[C@H](O)C(=O)[C@@]2(O)[C@]1(C)[C@@H](C[C@H]([C@@H]3C)C1=CCn2n(C1)c(=O)n(-c1ccccc1)c2=O)OC(=O)CCl
SMILES:C[C@@H]1CC[C@@]23C[C@H](O)C(=O)[C@@]2(O)[C@]1(C)[C@@H](C[C@H]([C@@H]3C)C1=CCn2n(C1)c(=O)n(-c1ccccc1)c2=O)OC(=O)CCl

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