3-[(1-{2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl}-4-hydroxypyrrolidin-2-yl)formamido]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid, VH 101, acid
HIT218832788
sdf文件结构编辑类似物检索
HIT ID: HIT218832788
Cas No:
分子式: C28H35FN4O6S
分子量: 574.67
常用名: 3-[(1-{2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl}-4-hydroxypyrrolidin-2-yl)formamido]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid, VH 101, acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[(1-{2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl}-4-hydroxypyrrolidin-2-yl)formamido]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid
SMILES: Cc1ncsc1-c1ccc(cc1)C(CC(O)=O)NC(=O)C1CC(O)CN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)C
InChI key: IWPNYGPPFCLKCL-UHFFFAOYSA-N
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