Basic information
- CAS
56222-76-5- Standard SMILES
C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(O)c2C(=O)O1- InChIKey
UFOYBOIIZHEXJG-LDWIPMOCSA-N- Molecular formula
- C16H16ClNO8
- Average molar mass
- 385.75 g/mol
- Monoisotopic mass
- 385.0564442
Names & identifiers
- Preferred name
- Glutamic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-
- IUPAC
- (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]pentanedioic acid
Names & synonyms
Glutamic acid, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)glutamic acid56222-76-5SCHEMBL29652694DTXSID30204776N-[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-glutamic acid
Database identifiers
- CAS
56222-76-5- PubChem CID
- 198342
- DTXSID
DTXSID30204776
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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