Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
GMDNMQPTZZXDTE-SFHVURJKSA-N- Molecular formula
- C21H24N2O7
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- Boc-Tyr-ONB
- IUPAC
- (4-nitrophenyl)methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
Boc-Tyr-ONBSCHEMBL31213493GMDNMQPTZZXDTE-SFHVURJKSA-N
Database identifiers
- PubChem CID
- 6995563
- Nikkaji
- J1.037.634C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Related reactions
3 records
Compound notes
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