Basic information
- CAS
29820-36-8- Standard SMILES
CN(CC(=O)O)C(=O)c1c(I)c(I)c(C(=O)N2CCC[C@H]2C(=O)O)c(I)c1I- InChIKey
JPPQHAFOFQJWNP-LURJTMIESA-N- Molecular formula
- C16H14I4N2O6
- Average molar mass
- 837.91 g/mol
- Monoisotopic mass
- 837.7031
Names & identifiers
- Preferred name
- L-Proline, 1-(4-(((carboxymethyl)methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-
- IUPAC
- (2S)-1-[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
BRN 0464097L-Proline, 1-(4-(((carboxymethyl)methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-29820-36-8DTXSID201839601-(4-(((Carboxymethyl)methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-L-proline1-(4-(N-Methyl-N-carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-pyrrolidin-2-carbonsaureRefChem:350918DTXCID601064511-{4-[(Carboxymethyl)(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl}-L-proline
Database identifiers
- CAS
29820-36-8- PubChem CID
- 207384
- DTXSID
DTXSID20183960
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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