ACBI2
HIT218850629
sdf文件结构编辑类似物检索
HIT ID: HIT218850629
Cas No: 2913161-19-8
分子式: C56H68BrFN8O5S
分子量: 1064.17
常用名: ACBI2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,4R)-N-[(1S,4S)-6-(4-{6-bromo-11-cyclopentyl-8-oxo-1,9,11-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,9,12,14,16-heptaen-14-yl}piperidin-1-yl)-4-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
IUPAC: (2S,4R)-N-[(1S,4S)-6-(4-{6-bromo-11-cyclopentyl-8-oxo-1,9,11-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,9,12,14,16-heptaen-14-yl}piperidin-1-yl)-4-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILES: C[C@@H](CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C)CCN1CCC(CC1)c1ccc2c(c1)n(C1CCCC1)c1nc(=O)c3c(Br)cccc3n21
SMILES: C[C@@H](CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C)CCN1CCC(CC1)c1ccc2c(c1)n(C1CCCC1)c1nc(=O)c3c(Br)cccc3n21
InChI key: JBTHUOYYUUPUOZ-LIHPQFRDSA-N
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