Basic information
- CAS
29820-40-4- Standard SMILES
CCC(CNC(=O)c1c(I)c(I)c(C(=O)N2CCC[C@H]2C(=O)O)c(I)c1I)C(=O)O- InChIKey
GGYOQFVWWZRFAB-MQWKRIRWSA-N- Molecular formula
- C18H18I4N2O6
- Average molar mass
- 866 g/mol
- Monoisotopic mass
- 865.7344
Names & identifiers
- Preferred name
- Proline, 1-(4-(((2-carboxybutyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-
- IUPAC
- (2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
BRN 05044821-(4-(((2-Carboxybutyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)proline29820-40-4Proline, 1-(4-(((2-carboxybutyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-alpha-(4-(2-Carboxy-pyrrolidino)-carbonyl-2,3,5,6-tetrajod-benzoyl-amidomethyl)-buttersaureRefChem:373817DTXSID409522561-(4-{[(2-Carboxybutyl)imino](hydroxy)methyl}-2,3,5,6-tetraiodobenzoyl)-L-proline1-(4-{[(2-Carboxybutyl)imino](hydroxy)methyl}-2,3,5,6-tetraiodobenzoyl)proline
Database identifiers
- CAS
29820-40-4- PubChem CID
- 207385
- DTXSID
DTXSID40952256
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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