Basic information
- Standard SMILES
C=CCOc1c(Cl)cc(C(=O)NC(C)C(=O)N2CCCC2C(=O)NC2CC(=O)OC2OCc2ccccc2)cc1Cl- InChIKey
PKCNZCGCOCNOFH-UHFFFAOYSA-N- Molecular formula
- C29H31Cl2N3O7
- Average molar mass
- 604.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-(4-Allyloxy-3,5-dichloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide
- IUPAC
- 1-[2-[(3,5-dichloro-4-prop-2-enoxybenzoyl)amino]propanoyl]-N-(5-oxo-2-phenylmethoxyoxolan-3-yl)pyrrolidine-2-carboxamide
Names & synonyms
PKCNZCGCOCNOFH-UHFFFAOYSA-N1-[2-(4-Allyloxy-3,5-dichloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide
Database identifiers
- PubChem CID
- 22977486
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 951
Related reactions
7 records
Compound notes
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