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CHEBI:750545 - bicillin v2

Default Structure
ChEBI IDCHEBI:750545
ChEBI Namebicillin v2
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC16H20N2.C16H18N2O5S.C16H17N2O5S.K
Net Charge0
Average Mass979.232
Monoisotopic Mass978.30582
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)COc1ccccc1.[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)COc1ccccc1.[K+].c1ccc(CNCCNCc2ccccc2)cc1
InChIInChI=1S/2C16H18N2O5S.C16H20N2.K/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;/q;;;+1/p-1/t2*11-,12+,14-;;/m11../s1
InChIKeyMKWCVIJOIUPXTC-ZLOILWTKSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
bicillin v2 (CHEBI:750545) is a peptide (CHEBI:16670)
Synonym  Source
Bicillin v2ChEMBL