HIT ID: HIT212717361
Cas No: 26041-51-0
分子式: C17H13I4NO5
分子量: 818.911
常用名: N-Acetylthyroxine
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 5.8089614
IUPAC: (2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
IUPAC: (2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
SMILES: CC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
SMILES: CC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
InChI key: NERGVJCCFAPEMR-AWEZNQCLSA-N
