Basic information
- Standard SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)OCC- InChIKey
RQYOVSAJDTUHDE-ZDUSSCGKSA-N- Molecular formula
- C16H20INO5
- Average molar mass
- 433.24 g/mol
Names & identifiers
- Preferred name
- diethyl (2S)-2-[(4-iodobenzoyl)amino]pentanedioate
- IUPAC
- diethyl (2S)-2-[(4-iodobenzoyl)amino]pentanedioate
Names & synonyms
116387-21-4diethyl (2S)-2-[(4-iodobenzoyl)amino]pentanedioate1,5-diethyl (2S)-2-[(4-iodophenyl)formamido]pentanedioatediethyl 4-iodobenzoylglutamateL-Glutamic acid, N-(4-iodobenzoyl)-, diethyl esterSCHEMBL6308177RQYOVSAJDTUHDE-ZDUSSCGKSA-Ndiethyl N-(4-iodobenzoyl)glutamateDiethyl N-(4-iodobenzoyl)-L-glutamateN-4-iodobenzoyl-L-glutamic acid diethyl ester
Database identifiers
- PubChem CID
- 1885228
- Nikkaji
- J815.667K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
7 records
Linked notes
Loading…