HIT ID: HIT212710238
Cas No: 130007-52-2
分子式: C29H29IN4O5S
分子量: 672.54
常用名: L 669083
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 8.211161
IUPAC: 3-[3-(4-azidobenzenesulfonyl)-1-[(4-hydroxy-3-iodophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
IUPAC: 3-[3-(4-azidobenzenesulfonyl)-1-[(4-hydroxy-3-iodophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
SMILES: CC(C)c1ccc2n(Cc3ccc(O)c(I)c3)c(CC(C)(C)C(O)=O)c(c2c1)S(=O)(=O)c1ccc(cc1)N=[N+]=[N-]
SMILES: CC(C)c1ccc2n(Cc3ccc(O)c(I)c3)c(CC(C)(C)C(O)=O)c(c2c1)S(=O)(=O)c1ccc(cc1)N=[N+]=[N-]
InChI key: AKCMQYDDRKIENA-UHFFFAOYSA-N
