HIT ID: HIT212667682
Cas No: 2095244-52-1
分子式: C46H64N4O12S2
分子量: 929.15
常用名: cIAP1 Ligand-Linker Conjugates 12
常用名: cIAP1 Ligand-Linker Conjugates 12
氢键受体数 (HBA): 11
氢键供体数 (HBD): 1
LogP: 6.4932294
IUPAC: tert-butyl N-[(1S)-1-{[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3-{2-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]ethoxy}benzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
IUPAC: tert-butyl N-[(1S)-1-{[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3-{2-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]ethoxy}benzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
SMILES: C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)c1
SMILES: C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)c1
InChI key: SVNXSNSRSRYQDI-IIYGVWAWSA-N
