HIT ID: HIT212672984
Cas No: 340757-05-3
分子式: C27H38N4O7S
分子量: 562.68
常用名: β3-AR agonist 2
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -0.5636142
IUPAC: (2S)-2-{[4-(4-{[(2R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonamidophenyl)ethyl]amino}piperidin-1-yl)phenyl]formamido}-4-methylpentanoic acid
IUPAC: (2S)-2-{[4-(4-{[(2R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonamidophenyl)ethyl]amino}piperidin-1-yl)phenyl]formamido}-4-methylpentanoic acid
SMILES: CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O
InChI key: UCLMKQWLGHPTKX-ZCYQVOJMSA-N
