HCID86603397

2-{(2S,3S)-2-[(R)-2-tert-butoxycarbonylamino-2-(4-tert-butoxycarbonylamino-phenyl)-acetylamino]-3-phenyl-butyrylamino}-thiazole-4-carboxylic acid methyl ester

methyl 2-[[(2S,3S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]-3-phenylbutanoyl]amino]-1,3-thiazole-4-carboxylate

C33H41N5O8S667.8 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COC(=O)c1csc(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(NC(=O)OC(C)(C)C)cc2)[C@@H](C)c2ccccc2)n1
InChIKey: YHVFJHQHTKJHQJ-PNTFMKQHSA-N
分子式: C33H41N5O8S
平均分子量: 667.8 g/mol
单同位素质量: 667.26758446

COMPUTED

结构计算性质

等待补全

XLogP: 5.3
极性表面积: 202 Å²
氢键供体: 4
氢键受体: 10
可旋转键: 15
重原子: 47
形式电荷: 0
复杂度: 1,100

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL4684794YHVFJHQHTKJHQJ-PNTFMKQHSA-N2-{(2S,3S)-2-[(R)-2-tert-butoxycarbonylamino-2-(4-tert-butoxycarbonylamino-phenyl)-acetylamino]-3-phenyl-butyrylamino}-thiazole-4-carboxylic acid methyl ester

REACTIONS