Basic information
- CAS
59168-65-9- Standard SMILES
CC(C)(C)OC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N1C(=O)c2ccccc2C1=O- InChIKey
QGIHHNDVUYFYBK-UHFFFAOYSA-N- Molecular formula
- C20H24N2O6S
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.13550766
Names & identifiers
- Preferred name
- 2-[2-Tert-butoxy-1-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 2-[1-(1,3-dioxoisoindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Names & synonyms
NSC18773MLS0026386142-[2-tert-butoxy-1-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid6966-35-459168-65-9NSC-187732-(2-tert-butoxy-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acidCHEMBL1723203DTXSID90974600HMS3095M12NSC117570NSC-117570
Show more names
NCI60_001562SMR001548086
Database identifiers
- CAS
59168-65-9、6966-35-4- PubChem CID
- 227293
- DTXSID
DTXSID90974600- ChEMBL
CHEMBL1723203
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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