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CHEBI:760447 - asp-8302

Default Structure
ChEBI IDCHEBI:760447
ChEBI Nameasp-8302
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC26H32ClN7O3S2
Net Charge0
Average Mass590.175
Monoisotopic Mass589.16966
SMILESC[C@@H]1CCCN1Cc1sc(NC(=O)c2cnc(N3CCN(CCC(=O)O)[C@@H](C)C3)cn2)nc1-c1cc(Cl)cs1
InChIInChI=1S/C26H32ClN7O3S2/c1-16-4-3-6-33(16)14-21-24(20-10-18(27)15-38-20)30-26(39-21)31-25(37)19-11-29-22(12-28-19)34-9-8-32(17(2)13-34)7-5-23(35)36/h10-12,15-17H,3-9,13-14H2,1-2H3,(H,35,36)(H,30,31,37)/t16-,17+/m1/s1
InChIKeyQEVOTPLHYBIHKJ-SJORKVTESA-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)
asp-8302 (CHEBI:760447) is a N-arylpiperazine (CHEBI:46848)
Synonyms  Source
Asp-8302ChEMBL
Asp8302ChEMBL