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CHEBI:113504 - 3-(1,3-benzodioxol-5-yl)-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-methylurea

ChEBI IDCHEBI:113504
ChEBI Name3-(1,3-benzodioxol-5-yl)-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-methylurea
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DownloadsMolfile
FormulaC24H34N6O6
Net Charge0
Average Mass502.572
Monoisotopic Mass502.25398
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)OCc2cnnn2CCCC1=O
InChIInChI=1S/C24H34N6O6/c1-16-11-29(17(2)13-31)23(32)5-4-8-30-19(10-25-27-30)14-34-22(16)12-28(3)24(33)26-18-6-7-20-21(9-18)36-15-35-20/h6-7,9-10,16-17,22,31H,4-5,8,11-15H2,1-3H3,(H,26,33)/t16-,17+,22-/m0/s1
InChIKeyPARFVHOUOBIHJG-JKSBSHDWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzodioxol-5-yl)-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-methylurea (CHEBI:113504) is a azamacrocycle (CHEBI:52898)
3-(1,3-benzodioxol-5-yl)-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-methylurea (CHEBI:113504) is a lactam (CHEBI:24995)
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