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CHEBI:96756 - 1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:96756
ChEBI Name1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC27H36N6O4
Net Charge0
Average Mass508.623
Monoisotopic Mass508.27980
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)OCc2cnnn2CCCC1=O
InChIInChI=1S/C27H36N6O4/c1-19-15-32(20(2)17-34)26(35)12-7-13-33-22(14-28-30-33)18-37-25(19)16-31(3)27(36)29-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,14,19-20,25,34H,7,12-13,15-18H2,1-3H3,(H,29,36)/t19-,20+,25-/m0/s1
InChIKeyBDQCUWSGKZTQJJ-DFIYOIEZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:96756) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:96756) is a lactam (CHEBI:24995)
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