Basic information
- Standard SMILES
CCC(Cc1c(I)cc(I)c(NC(=O)CCCCCNC(=O)CNCCNCCN)c1I)C(=O)O- InChIKey
DIBWLGVJHPHNAO-UHFFFAOYSA-N- Molecular formula
- C23H36I3N5O4
- Average molar mass
- 827.3 g/mol
- Monoisotopic mass
- 826.9901
Names & identifiers
- Preferred name
- 3-[6-[[[2-[(2-Aminoethyl)amino]ethyl]amino]acetyl amino]-1-oxohexyl]amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid
- IUPAC
- 2-[[3-[6-[[2-[2-(2-aminoethylamino)ethylamino]acetyl]amino]hexanoylamino]-2,4,6-triiodophenyl]methyl]butanoic acid
Names & synonyms
SCHEMBL8207041DIBWLGVJHPHNAO-UHFFFAOYSA-N3-[6- [[[2-[(aminoethyl)amino]ethyl]amino]acetylamino]-1-oxohexyl]amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid3-[6-[[[2-[(2-aminoethyl)amino]ethyl]amino]acetyl amino]-1-oxohexyl]amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid
Database identifiers
- PubChem CID
- 22921396
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 646
Related reactions
2 records
Compound notes
Loading…