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CHEBI:201294 - Pseudoxylallemycin D

ChEBI IDCHEBI:201294
ChEBI NamePseudoxylallemycin D
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FormulaC36H48N4O6
Net Charge0
Average Mass632.802
Monoisotopic Mass632.35739
SMILESC=C=CCOc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)N(C)C2=O)cc1O
InChIInChI=1S/C36H48N4O6/c1-8-9-17-46-32-16-15-26(22-31(32)41)21-28-36(45)40(7)29(18-23(2)3)33(42)37-27(20-25-13-11-10-12-14-25)35(44)39(6)30(19-24(4)5)34(43)38-28/h9-16,22-24,27-30,41H,1,17-21H2,2-7H3,(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1
InChIKeyJNLPGFMPPFHKLO-KRCBVYEFSA-N
ChEBI Ontology
Outgoing Relation(s)
Pseudoxylallemycin D (CHEBI:201294) has functional parent α-amino acid (CHEBI:33704)
Pseudoxylallemycin D (CHEBI:201294) is a organonitrogen compound (CHEBI:35352)
Pseudoxylallemycin D (CHEBI:201294) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,9S,12S)-3-benzyl-9-[(4-buta-2,3-dienoxy-3-hydroxyphenyl)methyl]-1,7-dimethyl-6,12-bis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
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