EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:55473 - ampicilloyl-butylamine

ChEBI IDCHEBI:55473
ChEBI Nameampicilloyl-butylamine
Stars
DefinitionAn amide formed between ampicillin and butylamine.
Last Modified2 February 2010
Submitterzjosephs
DownloadsMolfile
FormulaC20H30N4O4S
Net Charge0
Average Mass422.551
Monoisotopic Mass422.19878
SMILES[H][C@@]1([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)NCCCC)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C20H30N4O4S/c1-4-5-11-22-17(26)14(18-24-15(19(27)28)20(2,3)29-18)23-16(25)13(21)12-9-7-6-8-10-12/h6-10,13-15,18,24H,4-5,11,21H2,1-3H3,(H,22,26)(H,23,25)(H,27,28)/t13-,14-,15+,18-/m1/s1
InChIKeyDEUIOQHUFBVJFK-ZXFNITATSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ampicilloyl-butylamine (CHEBI:55473) has functional parent ampicillin (CHEBI:28971)
ampicilloyl-butylamine (CHEBI:55473) has part ampicilloyl group (CHEBI:53704)
ampicilloyl-butylamine (CHEBI:55473) is a monocarboxylic acid amide (CHEBI:29347)
ampicilloyl-butylamine (CHEBI:55473) is a thiazolidinemonocarboxylic acid (CHEBI:48875)
IUPAC Name 
(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(butylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Synonyms  Source
Amp-BAChEBI
AMP-BAChEBI
AMP-butylamineChEBI
ampicilloyl butylamineChEBI
Citations