D-Alanyl-O-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-L-serine
Basic information
- CAS
921933-74-6- Standard SMILES
C[C@@H](N)C(=O)N[C@@H](COC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)O- InChIKey
BWOSAPJIHCATNO-KCJUWKMLSA-N- Molecular formula
- C16H17N3O7
- Average molar mass
- 363.32 g/mol
- Monoisotopic mass
- 363.10664989
Names & identifiers
- Preferred name
- D-Alanyl-O-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-L-serine
- IUPAC
- (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxypropanoic acid
Names & synonyms
921933-74-6D-Alanyl-O-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-L-serineDTXSID20840965
Database identifiers
- CAS
921933-74-6- PubChem CID
- 71421920
- DTXSID
DTXSID20840965
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- 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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