MS432
HIT214314644
sdf文件结构编辑类似物检索
HIT ID: HIT214314644
Cas No:
分子式: C50H65F3IN7O6S
分子量: 1076.07
常用名: MS432
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,4R)-1-[(2S)-2-[11-({3-[({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}formamido)oxy]propyl}amino)undecanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
IUPAC: (2R,4R)-1-[(2S)-2-[11-({3-[({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}formamido)oxy]propyl}amino)undecanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILES: C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES: C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)C(C)(C)C)c1ccc(cc1)-c1scnc1C
InChI key: KCBAMQOKOLXLOX-FZVHRACFSA-N
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