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CHEBI:80954 - Sceptrin

ChEBI IDCHEBI:80954
ChEBI NameSceptrin
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC22H24Br2N10O2
Net Charge0
Average Mass620.310
Monoisotopic Mass618.04504
SMILESNc1ncc([C@H]2[C@H](CNC(=O)c3cc(Br)cn3)[C@@H](CNC(=O)c3cc(Br)cn3)[C@@H]2c2cnc(N)n2)n1
InChIInChI=1S/C22H24Br2N10O2/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t11-,12-,17-,18-/m1/s1
InChIKeyYPZNLFZLPZWWAD-GWIYSAMLSA-N
ChEBI Ontology
Outgoing Relation(s)
Sceptrin (CHEBI:80954) is a pyrroles (CHEBI:26455)
Sceptrin (CHEBI:80954) is a secondary carboxamide (CHEBI:140325)
Manual XrefsDatabases
C17166KEGG COMPOUND
Registry NumbersSources
CAS:79638-16-7KEGG COMPOUND