Basic information
- Standard SMILES
CO[C@H]1C[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)C[C@@H]1O[N+](=O)[O-]- InChIKey
BXBDUAJTDAIPEZ-KATARQTJSA-N- Molecular formula
- C12H20N2O7
- Average molar mass
- 304.3 g/mol
Names & identifiers
- Preferred name
- N-{[(1R,3S,4S)-3-methoxy-4-(nitrooxy)cyclopentyl]carbonyl}-L-valine
- IUPAC
- (2S)-2-[[(1R,3S,4S)-3-methoxy-4-nitrooxycyclopentanecarbonyl]amino]-3-methylbutanoic acid
Names & synonyms
SCHEMBL15232943BXBDUAJTDAIPEZ-KATARQTJSA-NN-{[(1R,3S,4S)-3-methoxy-4-(nitrooxy)cyclopentyl]carbonyl}-L-valine
Database identifiers
- PubChem CID
- 46220211
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
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