2-(1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl)isoindolin-1,3-dione (S)-2-(2-bromoacetamido)-3-methylbutanoate

HCID 86618751

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

Related reactions

4 records

Compound notes

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