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CHEBI:746940 - bestatin zwitterion

Default Structure
ChEBI IDCHEBI:746940
ChEBI Namebestatin zwitterion
Stars
DefinitionA dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of bestatin; major species at pH 7.3.
Last Modified29 April 2026
SubmitterR. Stephan
DownloadsMolfile
FormulaC16H24N2O4
Net Charge0
Average Mass308.378
Monoisotopic Mass308.17361
SMILESCC(C)C[C@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
InChIKeyVGGGPCQERPFHOB-RDBSUJKOSA-N
ChEBI Ontology
Outgoing Relation(s)
bestatin zwitterion (CHEBI:746940) is a dipeptide zwitterion (CHEBI:90799)
bestatin zwitterion (CHEBI:746940) is tautomer of bestatin (CHEBI:3070)
Incoming Relation(s)
bestatin hydrochloride (CHEBI:180575) has part bestatin zwitterion (CHEBI:746940)
bestatin (CHEBI:3070) is tautomer of bestatin zwitterion (CHEBI:746940)
IUPAC Name 
N-[(2S,3R)-3-azaniumyl-2-hydroxy-4-phenylbutanoyl]-L-leucinate
Synonyms  Source
(−)-bestatin zwitterionChEBI
ubenimex zwitterionChEBI
Manual XrefsDatabases
BESTATINMetaCyc