Basic information
- Standard SMILES
C[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(N)=O.O- InChIKey
JZZOEJNDYNQACX-HJXLNUONSA-N- Molecular formula
- C7H15N3O5
- Average molar mass
- 221.21 g/mol
Names & identifiers
- Preferred name
- L-aspartyl-D-alanine amide monohydrate
- IUPAC
- (3S)-3-amino-4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;hydrate
Names & synonyms
SCHEMBL11698272JZZOEJNDYNQACX-HJXLNUONSA-NL-aspartyl-D-alanine amide monohydrate
Database identifiers
- PubChem CID
- 22796342
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
2 records
Compound notes
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