HCID89928869

(3aR,5R,6aR)-Isobutyl 5-(((3S,4S)-3-methoxytetrahydro-2H-pyran-4-yl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydro-cyclopenta[c]pyrrole-2(1H)-carboxylate

2-methylpropyl (3aR,5R,6aR)-5-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate

C28H39F3N4O5568.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIKey: OFMVHBBUOMKBMH-VCGNZILWSA-N
分子式: C28H39F3N4O5
平均分子量: 568.6 g/mol
单同位素质量: 568.28725484

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 93.2 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 7
重原子: 40
形式电荷: 0
复杂度: 923

ALIASES

名称与别名

共 3 条

SCHEMBL15422721OFMVHBBUOMKBMH-VCGNZILWSA-N(3aR,5R,6aR)-Isobutyl 5-(((3S*,4S*)-3-methoxytetrahydro-2H-pyran-4-yl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydro-cyclopenta[c]pyrrole-2(1H)-carboxylate

REACTIONS

参与反应

1 条

uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09024017B2

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