HCID86646401

Acetic acid 2-acetoxy-3-[3-[3-(3-{3-[3,5-bis-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo phenyl]-ureido}-2-hydroxy-propyl)-ureido]-5-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]-propyl ester

[2-acetyloxy-3-[[3-[[3-[[3,5-bis(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodophenyl]carbamoylamino]-2-hydroxypropyl]carbamoylamino]-5-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodobenzoyl]amino]propyl] acetate

C49H58I6N8O231,888.4 g/mol

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IDENTITY

结构与身份

标准 SMILES: CC(=O)OCC(CNC(=O)c1c(I)c(NC(=O)NCC(O)CNC(=O)Nc2c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2I)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I)OC(C)=O
InChIKey: MKIFVFHCSFCKRV-UHFFFAOYSA-N
分子式: C49H58I6N8O23
平均分子量: 1,888.4 g/mol
单同位素质量: 1,887.7883

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 429 Å²
氢键供体: 9
氢键受体: 23
可旋转键: 38
重原子: 86
形式电荷: 0
复杂度: 2,140

ALIASES

名称与别名

共 3 条

SCHEMBL3046706MKIFVFHCSFCKRV-UHFFFAOYSA-NAcetic acid 2-acetoxy-3-[3-[3-(3-{3-[3,5-bis-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo phenyl]-ureido}-2-hydroxy-propyl)-ureido]-5-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]-propyl ester

REACTIONS

参与反应

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