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CHEBI:135690 - fenbenicillin

ChEBI IDCHEBI:135690
ChEBI Namefenbenicillin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC22H22N2O5S
Net Charge0
Average Mass426.494
Monoisotopic Mass426.12494
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O5S/c1-22(2)17(21(27)28)24-19(26)15(20(24)30-22)23-18(25)16(13-9-5-3-6-10-13)29-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,23,25)(H,27,28)/t15-,16?,17+,20-/m1/s1
InChIKeyVZPPEUOYDWPUKO-MQWDNKACSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
fenbenicillin (CHEBI:135690) is a dipeptide (CHEBI:46761)
Synonyms  Source
fenbenicillin potassium saltDrugCentral
penspekDrugCentral
phenbenicillinDrugCentral
Manual XrefsDatabases
3221DrugCentral
Registry NumbersSources
CAS:1177-30-6DrugCentral