HCID86644530

2-(19-tert-Butoxycarbonylnonadecanoylamino)pentanedioic acid 1-tert-butyl ester 5-(2,5-dioxopyrrolidin-1-yl)ester

1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-[[20-[(2-methylpropan-2-yl)oxy]-20-oxoicosanoyl]amino]pentanedioate

C37H64N2O9680.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C
InChIKey: KGDAFBWUDUETLI-UHFFFAOYSA-N
分子式: C37H64N2O9
平均分子量: 680.9 g/mol
单同位素质量: 680.46118162

COMPUTED

结构计算性质

已同步

XLogP: 8.8
极性表面积: 145 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 30
重原子: 48
形式电荷: 0
复杂度: 997

ALIASES

名称与别名

共 4 条

SCHEMBL1677088KGDAFBWUDUETLI-UHFFFAOYSA-N2-(19-tert-Butoxycarbonylnonadecanoylamino)pentanedioic acid 1-tert-butyl ester 5-(2,5-dioxopyrrolidin-1-yl) ester2-(19-tert-Butoxycarbonylnonadecanoylamino)pentanedioic acid 1-tert-butyl ester 5-(2,5-dioxopyrrolidin-1-yl)ester

REACTIONS