Basic information
- Standard SMILES
CCOC(=O)[C@H](CC(C)C)NC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I- InChIKey
ATNJUDXAJPECMJ-NSHDSACASA-N- Molecular formula
- C19H24I3N3O5
- Average molar mass
- 755.1 g/mol
Names & identifiers
- Preferred name
- N-(3,5-diacetamido-2,4,6-triiodobenzoyl)-L-leucine ethyl ester
- IUPAC
- ethyl (2S)-2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]-4-methylpentanoate
Names & synonyms
SCHEMBL9816290ATNJUDXAJPECMJ-NSHDSACASA-NN-(3,5-diacetamido-2,4,6-triiodobenzoyl)-L-leucine ethyl ester
Database identifiers
- PubChem CID
- 53661440
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Related reactions
1 records
Compound notes
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