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CHEBI:181067 - (3S,6R,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

ChEBI IDCHEBI:181067
ChEBI Name(3S,6R,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44N4O6
Net Charge0
Average Mass568.715
Monoisotopic Mass568.32609
SMILES[H][C@@]12CCCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCCCCC(=O)C1CO1)NC2=O
InChIInChI=1S/C31H44N4O6/c1-20(2)17-24-31(40)35-16-10-9-14-25(35)30(39)32-22(13-7-4-8-15-26(36)27-19-41-27)28(37)33-23(29(38)34-24)18-21-11-5-3-6-12-21/h3,5-6,11-12,20,22-25,27H,4,7-10,13-19H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)/t22?,23-,24+,25+,27?/m1/s1
InChIKeyDYQZJCUKWTVTLH-ZFMBJHPBSA-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)
(3S,6R,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (CHEBI:181067) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6R,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
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