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CHEBI:55440 - amoxicilloyl-benzylamine

ChEBI IDCHEBI:55440
ChEBI Nameamoxicilloyl-benzylamine
Stars
DefinitionAmide formed between amoxicillin and benzylamine.
Last Modified2 February 2010
Submitterzjosephs
DownloadsMolfile
FormulaC23H28N4O5S
Net Charge0
Average Mass472.567
Monoisotopic Mass472.17804
SMILES[H][C@@]1([C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C(=O)NCc2ccccc2)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C23H28N4O5S/c1-23(2)18(22(31)32)27-21(33-23)17(20(30)25-12-13-6-4-3-5-7-13)26-19(29)16(24)14-8-10-15(28)11-9-14/h3-11,16-18,21,27-28H,12,24H2,1-2H3,(H,25,30)(H,26,29)(H,31,32)/t16-,17-,18+,21-/m1/s1
InChIKeyLIPVPDPMVISMIH-DCXXXQMHSA-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)
amoxicilloyl-benzylamine (CHEBI:55440) has part amoxicilloyl group (CHEBI:53705)
amoxicilloyl-benzylamine (CHEBI:55440) is a monocarboxylic acid amide (CHEBI:29347)
amoxicilloyl-benzylamine (CHEBI:55440) is a thiazolidinemonocarboxylic acid (CHEBI:48875)
IUPAC Name 
(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-(benzylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Synonym  Source
AXO-BAChEBI
Citations