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CHEBI:216120 - Natalenamide B

ChEBI IDCHEBI:216120
ChEBI NameNatalenamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O5
Net Charge0
Average Mass389.452
Monoisotopic Mass389.19507
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC1=O
InChIInChI=1S/C20H27N3O5/c1-12(2)10-15-19(27)21-14(8-9-17(24)25)18(26)23-16(20(28)22-15)11-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3,(H,21,27)(H,22,28)(H,23,26)(H,24,25)/t14-,15-,16-/m0/s1
InChIKeyNCUTXAUIYRLLMG-JYJNAYRXSA-N
Species of MetaboliteComponentSourceComments
Actinomaduraspecies RB99 (ncbitaxon:2691577) - PubMed (30453579)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Natalenamide B (CHEBI:216120) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(2S,5S,8S)-5-benzyl-8-(2-methylpropyl)-3,6,9-trioxo-1,4,7-triazonan-2-yl]propanoic acid