Basic information
- Standard SMILES
CCOC1OC(=O)CC1NC(=O)C1CCCN1C(=O)C(C)NC(=O)c1cc(Cl)c(O)c(Cl)c1- InChIKey
IPYQRIBFTWIZTL-UHFFFAOYSA-N- Molecular formula
- C21H25Cl2N3O7
- Average molar mass
- 502.3 g/mol
Names & identifiers
- Preferred name
- 1-[2-(3,5-Dichloro-4-hydroxy-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide
- IUPAC
- 1-[2-[(3,5-dichloro-4-hydroxybenzoyl)amino]propanoyl]-N-(2-ethoxy-5-oxooxolan-3-yl)pyrrolidine-2-carboxamide
Names & synonyms
IPYQRIBFTWIZTL-UHFFFAOYSA-N1-[2-(3,5-Dichloro-4-hydroxy-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide
Database identifiers
- PubChem CID
- 22977463
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 758
Related reactions
4 records
Compound notes
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