3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxononanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxononanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
| Molecular Formula | C33H34I6N4O8 |
|---|---|
| Molecular Weight | 1376.1 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 173.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 1375.6646 |
| Heavy Atoms | 51 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 26090-50-6 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCCCCCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I |
| InChIKey | UIXGQHGQJYKCFU-UHFFFAOYSA-N |
📖 Product Overview
3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxononanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid (CAS: 26090-50-6) is a chemical compound with molecular formula C33H34I6N4O8 and molecular weight 1376.1 g/mol. Its IUPAC systematic name is 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxononanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid.
UIXGQHGQJYKCFU-UHFFFAOYSA-N.
SMILES: C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCCCCCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I.
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