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CHEBI:222515 - Xenematide F

ChEBI IDCHEBI:222515
ChEBI NameXenematide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39N5O6
Net Charge0
Average Mass589.693
Monoisotopic Mass589.29003
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H](C)OC(=O)CCNC(=O)[C@@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C32H39N5O6/c1-19(2)15-25-31(41)35-26(17-22-18-34-24-12-8-7-11-23(22)24)30(40)33-14-13-28(39)43-20(3)29(32(42)36-25)37-27(38)16-21-9-5-4-6-10-21/h4-12,18-20,25-26,29,34H,13-17H2,1-3H3,(H,33,40)(H,35,41)(H,36,42)(H,37,38)/t20-,25+,26-,29+/m1/s1
InChIKeyYCKMPIISCAOLAN-DPSAIFGTSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (31263151)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xenematide F (CHEBI:222515) is a peptide (CHEBI:16670)
IUPAC Name 
N-[(2R,3S,6S,9R)-9-(1H-indol-3-ylmethyl)-2-methyl-6-(2-methylpropyl)-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]-2-phenylacetamide