HCID9547980

N-[(1R)-1-[(Benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide

N-[(2R)-3-benzylsulfonyl-1-oxo-1-[[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide

C25H31F3N4O6S572.6 g/mol

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IDENTITY

结构与身份

标准 SMILES: C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1
InChIKey: LIOLGHUQUQDMDF-AVRDEDQJSA-N
分子式: C25H31F3N4O6S
平均分子量: 572.6 g/mol
单同位素质量: 572.19164038

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 134 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 11
重原子: 39
形式电荷: 0
复杂度: 881

ALIASES

名称与别名

共 11 条

N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDEGNQ2hhn2hh5arylaminoethyl amide deriv. 37CHEMBL212604SCHEMBL8290912BDBM19723Q27460810(2R)-2-(morpholin-4-ylcarbonylamino)-3-(phenylmethane)sulfonyl-N-[(2S)-1-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl]propanamideMorpholine-4-carboxylic Acid {1-(R)-[1-(S)-methyl-2-(4-trifluoromethoxy-phenylamino)-ethylcarbamoyl]-2-phenylmethanesulfonyl-ethyl}-amide

REACTIONS