Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)CBr)C(=O)O.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCO- InChIKey
PGWNKMYSAUFXFJ-ZCMDIHMWSA-N- Molecular formula
- C22H26BrN3O8
- Average molar mass
- 540.4 g/mol
- Monoisotopic mass
- 539.09033
Names & identifiers
- Preferred name
- 2-(1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl)isoindolin-1,3-dione (S)-2-(2-bromoacetamido)-3-methylbutanoate
- IUPAC
- (2S)-2-[(2-bromoacetyl)amino]-3-methylbutanoic acid;2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
Names & synonyms
SCHEMBL14142181PGWNKMYSAUFXFJ-ZCMDIHMWSA-N2-(1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl)isoindolin-1,3-dione (S)-2-(2-bromoacetamido)-3-methylbutanoate
Database identifiers
- PubChem CID
- 86618751
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 690
Related reactions
4 records
Compound notes
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