SGC3027N
HIT212718260
sdf文件结构编辑类似物检索
HIT ID: HIT212718260
Cas No:
分子式: C44H51ClN6O6S
分子量: 827.44
常用名: SGC3027N
氢键受体数 (HBA): 10
氢键供体数 (HBD): 1
LogP: 7.7743816
IUPAC: N-[4-({[(3aS,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)butyl]-N-({4'-chloro-[1,1'-biphenyl]-3-yl}methyl)-3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
IUPAC: N-[4-({[(3aS,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)butyl]-N-({4'-chloro-[1,1'-biphenyl]-3-yl}methyl)-3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
SMILES: [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2CSCCCCN(Cc1cccc(c1)-c1ccc(Cl)cc1)C(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(C)C1=O)n1cnc2c(N)ncnc12 |c:43,t:49|
SMILES: [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2CSCCCCN(Cc1cccc(c1)-c1ccc(Cl)cc1)C(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(C)C1=O)n1cnc2c(N)ncnc12 |c:43,t:49|
InChI key: FJBPSCVGHZASPG-LJVHFRCJSA-N
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