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Basic information
- CAS
78873-51-5- Standard SMILES
C[N+](C)(C)[C@@H](Cc1cnc(SC[C@@H](O)[C@H](N)C(=O)O)[nH]1)C(=O)[O-]- InChIKey
PBGMXJHSCOZVQW-AEJSXWLSSA-N- Molecular formula
- C13H22N4O5S
- Average molar mass
- 346.409 g/mol
- Monoisotopic mass
- 346.1310908
Names & identifiers
- Preferred name
- 1H-Imidazole-4-ethanaminium, 2-(((2S,3S)-3-amino-3-carboxy-2-hydroxypropyl)thio)-alpha-carboxy-N,N,N-trimethyl-, inner salt, (alphaS)-
- IUPAC
- (2S)-3-(2-{[(2S,3S)-3-Amino-3-carboxy-2-hydroxypropyl]sulfanyl}-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
Database identifiers
- CAS
78873-51-5- PubChem CID
- 157271
- DTXSID
DTXSID60229356
Related reactions
0 records
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Compound notes
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