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CHEBI:181534 - 6-benzyl-3-butan-2-yl-9-(7,8-dihydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

ChEBI IDCHEBI:181534
ChEBI Name6-benzyl-3-butan-2-yl-9-(7,8-dihydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46N4O7
Net Charge0
Average Mass586.730
Monoisotopic Mass586.33665
SMILESCCC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCCC(=O)C(O)CO)NC(=O)C2CCCCN2C1=O
InChIInChI=1S/C31H46N4O7/c1-3-20(2)27-31(42)35-17-11-10-15-24(35)30(41)32-22(14-8-5-9-16-25(37)26(38)19-36)28(39)33-23(29(40)34-27)18-21-12-6-4-7-13-21/h4,6-7,12-13,20,22-24,26-27,36,38H,3,5,8-11,14-19H2,1-2H3,(H,32,41)(H,33,39)(H,34,40)
InChIKeyYSNRSVKJRYQIIA-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-(7,8-dihydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (CHEBI:181534) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
6-benzyl-3-butan-2-yl-9-(7,8-dihydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
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22369952ChemSpider