HCID76508378

2-[-[2-(1-Carboxy-3-methyl-butylcarbamoyl)-4-fluorophenyldisulfanyl]-5-fluorobenzoylamino]-4-methyl-pentanoic acid

2-[[2-[[(1-carboxy-3-methylbutyl)-(3-fluorobenzoyl)amino]disulfanyl]-5-fluorobenzoyl]amino]-4-methylpentanoic acid

C26H30F2N2O6S2568.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)CC(NC(=O)c1cc(F)ccc1SSN(C(=O)c1cccc(F)c1)C(CC(C)C)C(=O)O)C(=O)O
InChIKey: YOFHDZKXXXJZQZ-UHFFFAOYSA-N
分子式: C26H30F2N2O6S2
平均分子量: 568.7 g/mol
单同位素质量: 568.15133535

COMPUTED

结构计算性质

已同步

XLogP: 5.9
极性表面积: 175 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 13
重原子: 38
形式电荷: 0
复杂度: 834

ALIASES

名称与别名

共 5 条

2-[-[2-(1-carboxy-3-methyl-butylcarbamoyl)-4-fluorophenyldisulfanyl]-5-fluorobenzoylamino]-4-methyl-pentanoic acid2-{-[2-(1-carboxy-3-methyl-butylcarbamoyl)-4-fluorophenyldisulfanyl]-5-fluorobenzoylamino}-4-methyl-pentanoic acidSCHEMBL8571765YOFHDZKXXXJZQZ-UHFFFAOYSA-N2-{-[2-(1-carboxy-3-methylbutylcarbamoyl)-4-fluorophenyldisulfanyl]-5-fluorobenzoylamino}-4-methyl-pentanoic acid

REACTIONS