Basic information
- Standard SMILES
Cc1ccc([N+](=O)[O-])c(NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1- InChIKey
MJBPYSWBFHVXMQ-GFCCVEGCSA-N- Molecular formula
- C17H25N3O6
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- (2 R)-2-(N-(1,1-dimethylethoxycarbonyl)amino)-5-(5-methyl-2-nitrophenylamino)pentanoic acid
- IUPAC
- (2R)-5-(5-methyl-2-nitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Names & synonyms
SCHEMBL9300334MJBPYSWBFHVXMQ-GFCCVEGCSA-N(2 R )-2-(N-(1,1-dimethylethoxycarbonyl)amino)-5-(5-methyl-2-nitrophenylamino)pentanoic acid
Database identifiers
- PubChem CID
- 18656137
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
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