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CHEBI:225493 - Pseudoxylallemycin C

ChEBI IDCHEBI:225493
ChEBI NamePseudoxylallemycin C
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FormulaC36H48N4O5
Net Charge0
Average Mass616.803
Monoisotopic Mass616.36247
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)cc1
InChIInChI=1S/C36H48N4O5/c1-8-9-19-45-28-17-15-27(16-18-28)23-30-36(44)40(7)31(20-24(2)3)33(41)37-29(22-26-13-11-10-12-14-26)35(43)39(6)32(21-25(4)5)34(42)38-30/h9-18,24-25,29-32H,1,19-23H2,2-7H3,(H,37,41)(H,38,42)/t29-,30-,31-,32-/m0/s1
InChIKeyFBMPAMGJWFGHHO-YDPTYEFTSA-N
ChEBI Ontology
Outgoing Relation(s)
Pseudoxylallemycin C (CHEBI:225493) has functional parent α-amino acid (CHEBI:33704)
Pseudoxylallemycin C (CHEBI:225493) is a organonitrogen compound (CHEBI:35352)
Pseudoxylallemycin C (CHEBI:225493) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,9S,12S)-3-benzyl-9-[(4-buta-2,3-dienoxyphenyl)methyl]-5,11-dihydroxy-1,7-dimethyl-6,12-bis(2-methylpropyl)-1,4,7,10-tetrazacyclododeca-4,10-diene-2,8-dione
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