Basic information
- Standard SMILES
CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C- InChIKey
DYXQNNDRASHYQA-UFYCRDLUSA-N- Molecular formula
- C25H38ClN3O6
- Average molar mass
- 512 g/mol
Names & identifiers
- Preferred name
- N-(tert-butoxycarbonyl)-3-chloro-L-alanyl-L-phenylalanyl-L-leucine ethyl ester
- IUPAC
- ethyl (2S)-2-[[(2S)-2-[[(2R)-3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
Names & synonyms
SCHEMBL8884060DYXQNNDRASHYQA-UFYCRDLUSA-NN-(tert-butoxycarbonyl)-3-chloro-L-alanyl-L-phenylalanyl-L-leucine ethyl ester
Database identifiers
- PubChem CID
- 15021150
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 704
Related reactions
3 records
Compound notes
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