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CHEBI:96969 - 3-(1,3-benzodioxol-5-yl)-1-[[(8S,9R)-6-[(2S)-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-methylurea

ChEBI IDCHEBI:96969
ChEBI Name3-(1,3-benzodioxol-5-yl)-1-[[(8S,9R)-6-[(2S)-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-methylurea
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DownloadsMolfile
FormulaC24H34N6O6
Net Charge0
Average Mass502.572
Monoisotopic Mass502.25398
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H34N6O6/c1-16-10-30(17(2)13-31)23(32)5-4-8-29-11-19(26-27-29)14-34-22(16)12-28(3)24(33)25-18-6-7-20-21(9-18)36-15-35-20/h6-7,9,11,16-17,22,31H,4-5,8,10,12-15H2,1-3H3,(H,25,33)/t16-,17-,22-/m0/s1
InChIKeyDEGZSTUNWMGQCY-HOIFWPIMSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzodioxol-5-yl)-1-[[(8S,9R)-6-[(2S)-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-methylurea (CHEBI:96969) is a azamacrocycle (CHEBI:52898)
3-(1,3-benzodioxol-5-yl)-1-[[(8S,9R)-6-[(2S)-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-methylurea (CHEBI:96969) is a lactam (CHEBI:24995)
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