Basic information
- Standard SMILES
C[C@@H](Oc1ccccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
JCAOAZHOFRRSMS-SKDRFNHKSA-N- Molecular formula
- C15H20N2O7
- Average molar mass
- 340.33 g/mol
Names & identifiers
- Preferred name
- N-(tert-Butoxycarbonyl)-O-(2-nitrophenyl)-L-threonine
- IUPAC
- (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenoxy)butanoic acid
Names & synonyms
N-(tert-Butoxycarbonyl)-O-(2-nitrophenyl)-L-threonine160134-88-3(2S,3R)-2-(Boc-amino)-3-(2-nitrophenoxy)butanoic AcidSCHEMBL1562131JCAOAZHOFRRSMS-SKDRFNHKSA-NAC9412N-[(1,1-Dimethylethoxy)carbonyl]-O-(2-nitrophenyl) -L-threonineN-[(1,1-Dimethylethoxy)carbonyl]-O-(2-nitrophenyl)-L-threonine
Database identifiers
- PubChem CID
- 53947473
Properties
Computed structural properties
- XLogP
- 2.5
- 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
7 records
Linked notes
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