Name: SKI-73
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251621
Cas No:2206744-61-6
常用名:SKI-73
IUPAC:(2S,5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-6-(benzylamino)-N-[2-(4-methoxyphenyl)ethyl]-2-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamido]hexanamide
IUPAC:(2S,5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-6-(benzylamino)-N-[2-(4-methoxyphenyl)ethyl]-2-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamido]hexanamide
InChI key:HZHUKQLWLNDVDZ-IBDVCRJISA-N

分子式:C46H58N8O8
分子量:851.018
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(CCNC(=O)[C@H](CC[C@H](CNCc2ccccc2)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)NC(=O)CC(C)(C)C2=C(C)C(=O)C(C)=C(C)C2=O)cc1
SMILES:COc1ccc(CCNC(=O)[C@H](CC[C@H](CNCc2ccccc2)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)NC(=O)CC(C)(C)C2=C(C)C(=O)C(C)=C(C)C2=O)cc1

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