L 659286
HIT212716686
sdf文件结构编辑类似物检索
HIT ID: HIT212716686
Cas No: 119742-06-2
分子式: C17H21N5O7S2
分子量: 471.5
常用名: L 659286
氢键受体数 (HBA): 9
氢键供体数 (HBD): 1
LogP: -2.7228122
IUPAC: (6R,7S)-7-methoxy-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-2-(pyrrolidine-1-carbonyl)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-5,5,8-trione
IUPAC: (6R,7S)-7-methoxy-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-2-(pyrrolidine-1-carbonyl)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-5,5,8-trione
SMILES: [H][C@@]12[C@@H](OC)C(=O)N1C(C(=O)N1CCCC1)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O |t:17|
SMILES: [H][C@@]12[C@@H](OC)C(=O)N1C(C(=O)N1CCCC1)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O |t:17|
InChI key: CSHLZLLBIGKRRN-MEDUHNTESA-N
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