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CHEBI:752796 - benethamine penicillin

Default Structure
ChEBI IDCHEBI:752796
ChEBI Namebenethamine penicillin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC15H17N.C16H18N2O4S
Net Charge0
Average Mass545.705
Monoisotopic Mass545.23483
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)Cc1ccccc1.c1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S.C15H17N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,16H,11-13H2/t11-,12+,14-;/m1./s1
InChIKeyJAQPGQYDZJZOIN-LQDWTQKMSA-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)
benethamine penicillin (CHEBI:752796) is a peptide (CHEBI:16670)
Brand Name  Source
TriplopenChEMBL