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CHEBI:94375 - 6,9-dimethyl-3-[6-(2-oxiranyl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

ChEBI IDCHEBI:94375
ChEBI Name6,9-dimethyl-3-[6-(2-oxiranyl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
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DownloadsMolfile
FormulaC21H32N4O6
Net Charge0
Average Mass436.509
Monoisotopic Mass436.23218
SMILESCC1NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CCCCCC(=O)C2CO2)NC1=O
InChIInChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)
InChIKeyGNYCTMYOHGBSBI-UHFFFAOYSA-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)
6,9-dimethyl-3-[6-(2-oxiranyl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone (CHEBI:94375) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
LSM-5046LINCS