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CHEBI:139367 - benzylpenicilloyl-L-lysine

ChEBI IDCHEBI:139367
ChEBI Namebenzylpenicilloyl-L-lysine
Stars
ASCII Namebenzylpenicilloyl-L-lysine
DefinitionAn L-lysine derivative obtained from nucleophilic cleavage of the β-lactam ring of benzylpenicillin (penicillin G) by the ε-amino group of the L-lysine molecule.
Last Modified19 January 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H32N4O6S
Net Charge0
Average Mass480.587
Monoisotopic Mass480.20426
SMILES[H][C@@]1([C@H](NC(=O)Cc2ccccc2)C(=O)NCCCC[C@H](N)C(=O)O)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C22H32N4O6S/c1-22(2)17(21(31)32)26-19(33-22)16(25-15(27)12-13-8-4-3-5-9-13)18(28)24-11-7-6-10-14(23)20(29)30/h3-5,8-9,14,16-17,19,26H,6-7,10-12,23H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H,31,32)/t14-,16+,17-,19+/m0/s1
InChIKeyWJEDAXQWYZLHII-LKCYJCQHSA-N
ChEBI Ontology
Outgoing Relation(s)
benzylpenicilloyl-L-lysine (CHEBI:139367) has functional parent benzylpenicillin (CHEBI:18208)
benzylpenicilloyl-L-lysine (CHEBI:139367) has part benzylpenicilloyl group (CHEBI:53702)
benzylpenicilloyl-L-lysine (CHEBI:139367) is a L-lysine derivative (CHEBI:25095)
Incoming Relation(s)
benzylpenicilloyl-L-lysine residue (CHEBI:139490) is substituent group from benzylpenicilloyl-L-lysine (CHEBI:139367)
IUPAC Name 
N6-[(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-(2-phenylacetamido)acetyl]-L-lysine
Synonyms  Source
Nε-benzylpenicilloyl-L-lysineChEBI
benzyl penicillin-lysineChEBI
N6-benzylpenicilloyl-L-lysineChEBI
benzylpenicillin-lysineChEBI
Registry NumbersSources
CAS:25616-15-3ChemIDplus
Citations