CHEBI:77043 - 2-bromo-N-carbamoyl-3-methylbutanamide

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ChEBI Name 2-bromo-N-carbamoyl-3-methylbutanamide ChEBI ID CHEBI:77043 ChEBI ASCII Name 2-bromo-N-carbamoyl-3-methylbutanamide Definition An N-acylurea that is urea in which one of the hydrogens is replaced by a 2-bromo-3-methybutanoyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H11BrN2O2 Net Charge 0 Average Mass 223.06800 Monoisotopic Mass 222.00039 InChI InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11) InChIKey CMCCHHWTTBEZNM-UHFFFAOYSA-N SMILES CC(C)C(Br)C(=O)NC(N)=O ChEBI Ontology Outgoing 2-bromo-N-carbamoyl-3-methylbutanamide (CHEBI:77043) is a N-acylurea (CHEBI:74266) 2-bromo-N-carbamoyl-3-methylbutanamide (CHEBI:77043) is a organobromine compound (CHEBI:37141) Incoming (R)-bromisoval (CHEBI:77044) is a 2-bromo-N-carbamoyl-3-methylbutanamide (CHEBI:77043) (S)-bromisoval (CHEBI:77045) is a 2-bromo-N-carbamoyl-3-methylbutanamide (CHEBI:77043) Synonym Source Bromovalerylurea KEGG COMPOUND Manual Xrefs Databases C12829 KEGG COMPOUND D01391 KEGG DRUG View more database links Registry Number Type Source 496-67-3 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014

General Comment 2014-01-21 This is the record for the compound with undefined stereochemistry. The racemate, bromisoval, has a separate entry in ChEBI.