Basic information
- CAS
146142-94-1- Standard SMILES
N[C@@H](C[C@@](O)(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O- InChIKey
RMLYXMMBIZLGAQ-HZMBPMFUSA-N- Molecular formula
- C14H16N2O5
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.10592161
Overview
monatin has been reported in Sclerochiton ilicifolius with data available.
Names & identifiers
- Preferred name
- Monatin
- IUPAC
- (2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
Names & synonyms
Monatin146142-94-1(2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acidDTXSID60432020RefChem:159487DTXCID20382850(4S)-4-Hydroxy-4-(1H-indol-3-ylmethyl)-L-glutamic acid(2S,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acidMonatin, (2S,4S)-TL342VQ3GRSCHEMBL2700624SCHEMBL29361006
Show more names
RMLYXMMBIZLGAQ-HZMBPMFUSA-N(2S,4S)-4-amino-2-hydroxy-2-[(1H-indol-3-yl)methyl]pentanedioic acidAKOS005145817Q754363L-Glutamic acid, 4-hydroxy-4-(1H-indol-3-ylmethyl)-, (4S)-(2R,4S)-4-AZANYL-2-(1H-INDOL-3-YLMETHYL)-2-OXIDANYL-PENTANEDIOIC ACID
Database identifiers
- CAS
146142-94-1- PubChem CID
- 9860847
- DTXSID
DTXSID60432020- UNII
- TL342VQ3GR
- Nikkaji
- J508.844E
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Related reactions
43 records
Compound notes
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