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

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ChEBI Name 6,9-dimethyl-3-[6-(2-oxiranyl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
ChEBI ID CHEBI:94375
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H32N4O6
Net Charge 0
Average Mass 436.503
Monoisotopic Mass 436.23218
InChI InChI=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)
InChIKey GNYCTMYOHGBSBI-UHFFFAOYSA-N
SMILES CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C)CCCCCC(=O)C3CO3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-5046 LINCS
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