Name: Iosimenol
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212716442
Cas No:181872-90-2
常用名:Iosimenol
别名:MP-3047-04, ICJ-3393, ICJ 3393, BP-13
IUPAC:5-[2-({3-carbamoyl-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}(2,3-dihydroxypropyl)carbamoyl)-N-(2,3-dihydroxypropyl)acetamido]-N1-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
IUPAC:5-[2-({3-carbamoyl-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}(2,3-dihydroxypropyl)carbamoyl)-N-(2,3-dihydroxypropyl)acetamido]-N1-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChI key:DLPPIGPJCKKVBA-UHFFFAOYSA-N

分子式:C31H36I6N6O14
分子量:1478.084
氢键供体数 (HBD):12
氢键受体数 (HBA):14
LogP:-1.592549
SMILES:NC(=O)c1c(I)c(N(CC(O)CO)C(=O)CC(=O)N(CC(O)CO)c2c(I)c(C(N)=O)c(I)c(C(=O)NCC(O)CO)c2I)c(I)c(C(=O)NCC(O)CO)c1I
SMILES:NC(=O)c1c(I)c(N(CC(O)CO)C(=O)CC(=O)N(CC(O)CO)c2c(I)c(C(N)=O)c(I)c(C(=O)NCC(O)CO)c2I)c(I)c(C(=O)NCC(O)CO)c1I

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