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CHEBI:211707 - Pseudoxylallemycin B

ChEBI IDCHEBI:211707
ChEBI NamePseudoxylallemycin B
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FormulaC40H52N4O6
Net Charge0
Average Mass684.878
Monoisotopic Mass684.38869
SMILESC=C=CCOc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc3ccc(OCC=C=C)cc3)NC(=O)[C@H](CC(C)C)N(C)C2=O)cc1
InChIInChI=1S/C40H52N4O6/c1-9-11-21-49-31-17-13-29(14-18-31)25-33-39(47)43(7)36(24-28(5)6)38(46)42-34(26-30-15-19-32(20-16-30)50-22-12-10-2)40(48)44(8)35(23-27(3)4)37(45)41-33/h11-20,27-28,33-36H,1-2,21-26H2,3-8H3,(H,41,45)(H,42,46)/t33-,34-,35-,36-/m0/s1
InChIKeyQWMKZQLCKVCIIN-ZYADHFCISA-N
ChEBI Ontology
Outgoing Relation(s)
Pseudoxylallemycin B (CHEBI:211707) has functional parent α-amino acid (CHEBI:33704)
Pseudoxylallemycin B (CHEBI:211707) is a organonitrogen compound (CHEBI:35352)
Pseudoxylallemycin B (CHEBI:211707) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,9S,12S)-3,9-bis[(4-buta-2,3-dienoxyphenyl)methyl]-1,7-dimethyl-6,12-bis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
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