Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC(=O)CCC(=O)NCC(=O)NCC(=O)OCc1ccccc1- InChIKey
PYQHTPQZTRJYQZ-UHFFFAOYSA-N- Molecular formula
- C21H28N2O7
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- Benzyl-2-{2-[5-(tert-butoxycarbonyl)-4-oxopentanamido]-acetamido}-acetate
- IUPAC
- tert-butyl 3,6-dioxo-6-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]amino]hexanoate
Names & synonyms
SCHEMBL10276843PYQHTPQZTRJYQZ-UHFFFAOYSA-NBenzyl-2-{2-[5-(tert-butoxycarbonyl)-4-oxopentanamido]-acetamido}-acetate
Database identifiers
- PubChem CID
- 68088980
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Related reactions
1 records
Compound notes
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