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CHEBI:201744 - A-54556B

ChEBI IDCHEBI:201744
ChEBI NameA-54556B
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FormulaC37H48N6O8
Net Charge0
Average Mass704.825
Monoisotopic Mass704.35336
SMILESCC=CC=CC=CC(=O)NC(Cc1ccccc1)C(=O)NC1COC(=O)C2CCCN2C(=O)C(C)NC(=O)C(C)N(C)C(=O)C2CCCN2C1=O
InChIInChI=1S/C37H48N6O8/c1-5-6-7-8-12-19-31(44)39-27(22-26-15-10-9-11-16-26)33(46)40-28-23-51-37(50)30-18-14-21-43(30)34(47)24(2)38-32(45)25(3)41(4)36(49)29-17-13-20-42(29)35(28)48/h5-12,15-16,19,24-25,27-30H,13-14,17-18,20-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)
InChIKeyUMDXSUFDIAGURI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
A-54556B (CHEBI:201744) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,13S,16S,19S)-13,16,17-trimethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]octa-2,4,6-trienamide
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