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CHEBI:95761 - 1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:95761
ChEBI Name1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-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)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C27H36N6O4/c1-19-14-33(20(2)17-34)26(35)12-7-13-32-15-22(29-30-32)18-37-25(19)16-31(3)27(36)28-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,15,19-20,25,34H,7,12-14,16-18H2,1-3H3,(H,28,36)/t19-,20+,25-/m0/s1
InChIKeyXVJRXGRWNAMAGP-DFIYOIEZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:95761) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:95761) is a lactam (CHEBI:24995)
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