Basic information
- Standard SMILES
CCOC(=O)CN(C(=O)OC(C)(C)C)C(Cc1ccc(OC)cc1)C(=O)N1CCCC1C(=O)OCc1ccccc1- InChIKey
DFSBBGBCTRCLCW-UHFFFAOYSA-N- Molecular formula
- C31H40N2O8
- Average molar mass
- 568.7 g/mol
- Monoisotopic mass
- 568.27846624
Names & identifiers
- IUPAC
- benzyl 1-[2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylate
Database identifiers
- PubChem CID
- 77716143
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 874
Related reactions
2 records
Compound notes
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