2-(3-azaniumylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate
Basic information
- CAS
108333-82-0- Standard SMILES
[NH3+]CCC(=O)NC(Cc1cnc[nH]1)C(=O)[O-]- InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N- Molecular formula
- C9H14N4O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.10659032
Overview
See also: Beta-Alanylhistidine (preferred).
Names & identifiers
- Preferred name
- 2-(3-azaniumylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate
- IUPAC
- 2-(3-azaniumylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate
Names & synonyms
2-(3-azaniumylpropanoylamino)-3-(1H-imidazol-5-yl)propanoatePapain from Carica papaya Latex(Suspension)Papain from Carica papaya Latex(Lyophilized)
Database identifiers
- CAS
108333-82-0- PubChem CID
- 5249653
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…