(alphaS)-alpha-Amino-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinepropanoic acid
Basic information
- CAS
21381-33-9- Standard SMILES
N[C@@H](Cn1c(=O)cc[nH]c1=O)C(=O)O- InChIKey
AZSWUZQIIMMKOZ-BYPYZUCNSA-N- Molecular formula
- C7H9N3O4
- Average molar mass
- 199.16 g/mol
- Monoisotopic mass
- 199.05930578
Overview
Isowillardiine is a non-proteinogenic alpha-amino acid.
Names & identifiers
- Preferred name
- (alphaS)-alpha-Amino-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinepropanoic acid
- IUPAC
- (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
Names & synonyms
Isowillardiine21381-33-9beta-(2,4-Dihydroxypyrimidin-3-yl)alanineDTXSID00175646alpha-Amino-3,6-dihydro-2,6-dioxo-1(2H)pyrimidinepropanoic acidRefChem:906340DTXCID5098137(alphaS)-alpha-Amino-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinepropanoic acid3-(2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl)-l-alaninebeta-uracil-3-ylalanine3-(uracil-3-yl)-L-alanineAC1Q5QMW
Show more names
AC1L50YWCHEBI:6072C08289Q27107023
Database identifiers
- CAS
21381-33-9- PubChem CID
- 167983
- DTXSID
DTXSID00175646- ChEBI
CHEBI:6072- Nikkaji
- J15.311G
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 312
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…