HIT ID: HIT219251606
Cas No: 2765059-01-4
分子式: C42H63N3O11
分子量: 785.976
常用名: FKBP12 Ligand-Linker Conjugate 1
常用名: FKBP12 Ligand-Linker Conjugate 1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R)-1-(3-{[(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamoyl]methoxy}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
IUPAC: (1R)-1-(3-{[(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamoyl]methoxy}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCCOCCOCCOCCCN)c1
SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCCOCCOCCOCCCN)c1
InChI key: MVTCUTQNASGCLP-OIDHKYIRSA-N
