Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1- InChIKey
XOKJQPSAIVTLPX-UHFFFAOYSA-N- Molecular formula
- C23H27N3O7
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.18490021
Names & identifiers
- Preferred name
- Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetate
- IUPAC
- benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]acetate
Names & synonyms
NSC669647CHEMBL1968563NSC-669647NCI60_024309benzyl 2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetateBenzyl ((2-((tert-butoxycarbonyl)amino)-3-(4-(hydroxy(oxido)amino)phenyl)propanoyl)amino)acetate
Database identifiers
- PubChem CID
- 382188
- ChEMBL
CHEMBL1968563
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 673
Related reactions
1 records
Compound notes
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