Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C- InChIKey
NAFOVHMALJGPPY-JTQLQIEISA-N- Molecular formula
- C15H20N2O7
- Average molar mass
- 340.33 g/mol
Names & identifiers
- Preferred name
- (S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester
- IUPAC
- methyl (2S)-3-(4-hydroxy-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
5191-60-6SCHEMBL1151881SCHEMBL30153769NAFOVHMALJGPPY-JTQLQIEISA-NN-(tert-butoxycarbonyl)-3-nitro-L-tyrosine methyl ester(S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxy-3-nitrophenyl)propanoate(S)-Methyl2-((tert-butoxycarbonyl)amino)-3-(4-hydroxy-3-nitrophenyl)propanoate
Database identifiers
- PubChem CID
- 15518593
- Nikkaji
- J2.778.904H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Related reactions
11 records
Linked notes
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