p-SCN-Bn-HOPO
HIT212717833
sdf文件结构编辑类似物检索
HIT ID: HIT212717833
Cas No: 1822331-55-4
分子式: C43H45N9O12S
分子量: 911.94
常用名: p-SCN-Bn-HOPO
氢键受体数 (HBA): 13
氢键供体数 (HBD): 5
LogP: 0.12081531
IUPAC: 1-hydroxy-N-{3-[1-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)-N-{4-[1-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)-N-{3-[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)formamido]propyl}formamido]butyl}formamido]propyl}-N-[2-(4-isothiocyanatophenyl)ethyl]-6-oxo-1,6-dihydropyridine-2-carboxamide
IUPAC: 1-hydroxy-N-{3-[1-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)-N-{4-[1-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)-N-{3-[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)formamido]propyl}formamido]butyl}formamido]propyl}-N-[2-(4-isothiocyanatophenyl)ethyl]-6-oxo-1,6-dihydropyridine-2-carboxamide
SMILES: On1c(cccc1=O)C(=O)NCCCN(CCCCN(CCCN(CCc1ccc(cc1)N=C=S)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O
SMILES: On1c(cccc1=O)C(=O)NCCCN(CCCCN(CCCN(CCc1ccc(cc1)N=C=S)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O
InChI key: WHWUNEASNJESIC-UHFFFAOYSA-N
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供应商规格单价货期纯度操作
TargetMol
SC
186508-10周 购物车
Mcule
SC
60124-5周 购物车
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