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CHEBI:181976 - 6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

ChEBI IDCHEBI:181976
ChEBI Name6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46N4O6
Net Charge0
Average Mass570.731
Monoisotopic Mass570.34174
SMILESCCC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C2CCCCN2C1=O
InChIInChI=1S/C31H46N4O6/c1-4-20(2)27-31(41)35-18-12-11-16-25(35)30(40)32-23(15-9-6-10-17-26(37)21(3)36)28(38)33-24(29(39)34-27)19-22-13-7-5-8-14-22/h5,7-8,13-14,20-21,23-25,27,36H,4,6,9-12,15-19H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)
InChIKeyRWTAMSAIOGWNBT-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-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (CHEBI:181976) is a oligopeptide (CHEBI:25676)
IUPAC Name 
6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
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