HCID10196565

N-[[1-[(4-methoxyphenyl)methyl]cyclopentyl]carbonyl]-4-[[(2-methyl-5-nitrophenyl)carbonyl]amino]-L-phenylalanine

(2S)-2-[[1-[(4-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]-3-[4-[(2-methyl-5-nitrobenzoyl)amino]phenyl]propanoic acid

C31H33N3O7559.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4C)cc3)C(=O)O)CCCC2)cc1
InChIKey: QBXKRFRYQAFVKL-MHZLTWQESA-N
分子式: C31H33N3O7
平均分子量: 559.6 g/mol
单同位素质量: 559.2318504

COMPUTED

结构计算性质

已同步

XLogP: 5.4
极性表面积: 151 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 10
重原子: 41
形式电荷: 0
复杂度: 915

ALIASES

名称与别名

共 3 条

SCHEMBL6627412QBXKRFRYQAFVKL-MHZLTWQESA-NN-[[1-[(4-methoxyphenyl)methyl]cyclopentyl]carbonyl]-4-[[(2-methyl-5-nitrophenyl)carbonyl]amino]-L-phenylalanine

REACTIONS

参与反应

2 条

uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06806365B2

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uspto-grants-2002_09 · 10.6084/m9.figshare.5104873.v1 · US06455550B1

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