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CHEBI:55442 - 6-aminopenicilloyl-benzylamine

ChEBI IDCHEBI:55442
ChEBI Name6-aminopenicilloyl-benzylamine
Stars
DefinitionAmide formed between 6-aminopenicillanic acid and benzylamine.
Last Modified2 February 2010
Submitterzjosephs
DownloadsMolfile
FormulaC15H21N3O3S
Net Charge0
Average Mass323.418
Monoisotopic Mass323.13036
SMILES[H][C@@]1([C@H](N)C(=O)NCc2ccccc2)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C15H21N3O3S/c1-15(2)11(14(20)21)18-13(22-15)10(16)12(19)17-8-9-6-4-3-5-7-9/h3-7,10-11,13,18H,8,16H2,1-2H3,(H,17,19)(H,20,21)/t10-,11+,13-/m1/s1
InChIKeyUUFDDZSZUMPADR-NTZNESFSSA-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)
6-aminopenicilloyl-benzylamine (CHEBI:55442) has part 6-aminopenicilloyl group (CHEBI:55441)
6-aminopenicilloyl-benzylamine (CHEBI:55442) is a monocarboxylic acid amide (CHEBI:29347)
6-aminopenicilloyl-benzylamine (CHEBI:55442) is a thiazolidinemonocarboxylic acid (CHEBI:48875)
Synonyms  Source
(2R,4S)-2-[(1R)-1-amino-2-(benzylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acidChEBI
6-APA-BAChEBI
Citations