BRN 2800862
3-(acetamidomethyl)-5-[3-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
| Molecular Formula | C30H32I6N4O11 |
|---|---|
| Molecular Weight | 1386.0 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 219.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 1385.6335 |
| Heavy Atoms | 51 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 25901-40-0 |
|---|---|
| SMILES | CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I |
| InChIKey | YDVBPAKLORMETB-UHFFFAOYSA-N |
📖 Product Overview
BRN 2800862 (CAS: 25901-40-0) is a chemical compound with molecular formula C30H32I6N4O11 and molecular weight 1386.0 g/mol. Its IUPAC systematic name is 3-(acetamidomethyl)-5-[3-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid.
YDVBPAKLORMETB-UHFFFAOYSA-N.
SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I.
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