EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:751104 - isopropicillin

Default Structure
ChEBI IDCHEBI:751104
ChEBI Nameisopropicillin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC18H22N2O5S
Net Charge0
Average Mass378.450
Monoisotopic Mass378.12494
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(C)(C)Oc1ccccc1
InChIInChI=1S/C18H22N2O5S/c1-17(2,25-10-8-6-5-7-9-10)16(24)19-11-13(21)20-12(15(22)23)18(3,4)26-14(11)20/h5-9,11-12,14H,1-4H3,(H,19,24)(H,22,23)/t11-,12+,14-/m1/s1
InChIKeyCHEBXWARWMFQKF-MBNYWOFBSA-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)
isopropicillin (CHEBI:751104) is a peptide (CHEBI:16670)
INNs  Source
isopropicilinaWHO MedNet
isopropicillinWHO MedNet
isopropicillineWHO MedNet