HIT ID: HIT214317819
Cas No: 1374745-52-4
分子式: C31H28ClF3N6O6S
分子量: 705.11
常用名: Telotristat besilate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-amino-3-(4-{2-amino-6-[(1S)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)propanoic acid; benzenesulfonic acid
IUPAC: (2S)-2-amino-3-(4-{2-amino-6-[(1S)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)propanoic acid; benzenesulfonic acid
SMILES: OS(=O)(=O)c1ccccc1.Cc1ccn(n1)-c1cc(Cl)ccc1[C@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F
SMILES: OS(=O)(=O)c1ccccc1.Cc1ccn(n1)-c1cc(Cl)ccc1[C@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F
InChI key: WYZQOTLDKIRRDC-COBSGTNCSA-N
