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CHEBI:215673 - (Z)-pseudoxylallemycin F

ChEBI IDCHEBI:215673
ChEBI Name(Z)-pseudoxylallemycin F
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FormulaC40H54N4O7
Net Charge0
Average Mass702.893
Monoisotopic Mass702.39925
SMILESC=C=CCOc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc3ccc(OC/C=C\C)cc3O)NC(=O)[C@H](CC(C)C)N(C)C2=O)cc1
InChIInChI=1S/C40H54N4O7/c1-9-11-19-50-30-16-13-28(14-17-30)23-32-39(48)43(7)35(22-27(5)6)38(47)42-33(40(49)44(8)34(21-26(3)4)37(46)41-32)24-29-15-18-31(25-36(29)45)51-20-12-10-2/h10-18,25-27,32-35,45H,1,19-24H2,2-8H3,(H,41,46)(H,42,47)/b12-10-/t32-,33-,34-,35-/m0/s1
InChIKeyVQZBTHQWJRKXES-GZQQWLEASA-N
ChEBI Ontology
Outgoing Relation(s)
(Z)-pseudoxylallemycin F (CHEBI:215673) has functional parent α-amino acid (CHEBI:33704)
(Z)-pseudoxylallemycin F (CHEBI:215673) is a organonitrogen compound (CHEBI:35352)
(Z)-pseudoxylallemycin F (CHEBI:215673) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,9S,12S)-3-[(4-buta-2,3-dienoxyphenyl)methyl]-9-[[4-[(Z)-but-2-enoxy]-2-hydroxyphenyl]methyl]-1,7-dimethyl-6,12-bis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
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