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CHEBI:201879 - Onychocin B

ChEBI IDCHEBI:201879
ChEBI NameOnychocin B
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FormulaC31H42N4O4
Net Charge0
Average Mass534.701
Monoisotopic Mass534.32061
SMILESCCC(C)C1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)NC(=O)C(Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C31H42N4O4/c1-7-21(4)27-31(39)35(6)24(18-22-14-10-8-11-15-22)28(36)32-26(20(2)3)30(38)34(5)25(29(37)33-27)19-23-16-12-9-13-17-23/h8-17,20-21,24-27H,7,18-19H2,1-6H3,(H,32,36)(H,33,37)
InChIKeyKZGZTOMXQSOTKE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Onychocin B (CHEBI:201879) is a azamacrocycle (CHEBI:52898)
Onychocin B (CHEBI:201879) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3S,6S,9S,12R)-6,12-dibenzyl-3-[(2S)-butan-2-yl]-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
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103835329ChemSpider