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CHEBI:755364 - ppi-2458

Default Structure
ChEBI IDCHEBI:755364
ChEBI Nameppi-2458
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC22H36N2O6
Net Charge0
Average Mass424.538
Monoisotopic Mass424.25734
SMILES[H][C@]1([C@@]2(C)O[C@@H]2CC=C(C)C)[C@H](OC)[C@H](OC(=O)N[C@@H](C(N)=O)C(C)C)CC[C@]12CO2
InChIInChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1
InChIKeyQBDVVYNLLXGUGN-XGTBZJOHSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ppi-2458 (CHEBI:755364) has role antineoplastic agent (CHEBI:35610)
ppi-2458 (CHEBI:755364) is a valine derivative (CHEBI:27267)
Synonym  Source
Ppi-2458ChEMBL
Citations