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CHEBI:201349 - Pseudoxylallemycin A

ChEBI IDCHEBI:201349
ChEBI NamePseudoxylallemycin A
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SubmitterMetaboLights
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FormulaC32H44N4O4
Net Charge0
Average Mass548.728
Monoisotopic Mass548.33626
SMILESCC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C32H44N4O4/c1-21(2)17-27-29(37)33-26(20-24-15-11-8-12-16-24)32(40)36(6)28(18-22(3)4)30(38)34-25(31(39)35(27)5)19-23-13-9-7-10-14-23/h7-16,21-22,25-28H,17-20H2,1-6H3,(H,33,37)(H,34,38)/t25-,26-,27-,28-/m0/s1
InChIKeyLSLKDWVWAHUJKJ-LJWNLINESA-N
ChEBI Ontology
Outgoing Relation(s)
Pseudoxylallemycin A (CHEBI:201349) has functional parent α-amino acid (CHEBI:33704)
Pseudoxylallemycin A (CHEBI:201349) is a organonitrogen compound (CHEBI:35352)
Pseudoxylallemycin A (CHEBI:201349) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,9S,12S)-3,9-dibenzyl-1,7-dimethyl-6,12-bis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
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