Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I- InChIKey
JXORVYUOMVCTEM-AWEZNQCLSA-N- Molecular formula
- C22H22I3N3O5
- Average molar mass
- 789.1 g/mol
Names & identifiers
- Preferred name
- N-(3,5-diacetamido-2,4,6-triiodobenzoyl)-L-phenylalanine ethyl ester
- IUPAC
- ethyl (2S)-2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]-3-phenylpropanoate
Names & synonyms
SCHEMBL10878174JXORVYUOMVCTEM-AWEZNQCLSA-NN-(3,5-diacetamido-2,4,6-triiodobenzoyl)-L-phenylalanine ethyl ester
Database identifiers
- PubChem CID
- 53979941
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 689
Related reactions
1 records
Compound notes
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