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CHEBI:746940 - bestatin zwitterion(1+)

Default Structure
ChEBI IDCHEBI:746940
ChEBI Namebestatin zwitterion(1+)
Stars
DefinitionMajor species at pH 7.3 (predicted).
Last Modified20 November 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC16H25N2O4
Net Charge+1
Average Mass309.386
Monoisotopic Mass309.18088
SMILESCC(C)CC([NH2+]C(=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)/p+1/t12-,13?,14+/m1/s1
InChIKeyVGGGPCQERPFHOB-YIOYIWSBSA-O
ChEBI Ontology
Outgoing Relation(s)
bestatin zwitterion(1+) (CHEBI:746940) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate