HIT ID: HIT212103905
Cas No: 24593-59-7
分子式: C27H31N3O8S2
分子量: 589.68
常用名: L-Histidine benzyl ester bistosylate
常用名: L-Histidine benzyl ester bistosylate
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 0.8593356
IUPAC: bis(4-methylbenzene-1-sulfonic acid); benzyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate
IUPAC: bis(4-methylbenzene-1-sulfonic acid); benzyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate
SMILES: Cc1ccc(cc1)S(O)(=O)=O.Cc1ccc(cc1)S(O)(=O)=O.N[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccccc1
SMILES: Cc1ccc(cc1)S(O)(=O)=O.Cc1ccc(cc1)S(O)(=O)=O.N[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccccc1
InChI key: FQHRMEOHSXSJBX-LTCKWSDVSA-N
