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CHEBI:62940 - JH-02215

ChEBI IDCHEBI:62940
ChEBI NameJH-02215
Stars
DefinitionA carboxylic ester-lactam that is a synthetic DDM (didehydroxymycobactin)-like lipopeptide.
Secondary ChEBI IDCHEBI:47506
Last Modified6 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC59H87N5O10Si
Net Charge0
Average Mass1054.456
Monoisotopic Mass1053.62222
SMILESCCCCCCCCCCCCCCCC(=O)N(O)CCCCC(NC(=O)C1(C)COC(c2ccccc2O)=N1)C(=O)OC(C)CC(=O)NC1CCCCN(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O
InChIInChI=1S/C59H87N5O10Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-40-53(67)63(71)41-30-28-38-50(61-57(70)59(6)44-72-54(62-59)48-36-26-27-39-51(48)65)56(69)73-45(2)43-52(66)60-49-37-29-31-42-64(55(49)68)74-75(58(3,4)5,46-32-21-19-22-33-46)47-34-23-20-24-35-47/h19-24,26-27,32-36,39,45,49-50,65,71H,7-18,25,28-31,37-38,40-44H2,1-6H3,(H,60,66)(H,61,70)
InChIKeyWYBPZAANEVFNDD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
JH-02215 (CHEBI:62940) is a 1,3-oxazoles (CHEBI:46812)
JH-02215 (CHEBI:62940) is a carboxylic ester (CHEBI:33308)
JH-02215 (CHEBI:62940) is a hydroxamic acid (CHEBI:24650)
JH-02215 (CHEBI:62940) is a lactam (CHEBI:24995)
IUPAC Name 
4-[(1-{[tert-butyl(diphenyl)silyl]oxy}-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl N6-hexadecanoyl-N6-hydroxy-N2-{[2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}lysinate
Synonym  Source
6-(HYDROXY-HEXADECANOYL-AMINO)-2-{[(4S)-2-(2-HYDROXY-PHENYL)-4,5-DIHYDRO-OXAZOLE-4-CARBONYL]-AMINO}-HEXANOIC ACID 2-[(3S)-1-(TERT-BUTYL-DIPHENYL-SILANYLOXY)-2-OXO-AZEPAN-3-YLCARBAMOYL]-(1S)-1-METHYL-ETHYL ESTERPDBeChem
Manual XrefsDatabases
JH0PDBeChem
Citations