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CHEBI:96047 - 1-[[(8S,9S)-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-methyl-3-[3-(2-pyridinyloxy)phenyl]urea

ChEBI IDCHEBI:96047
ChEBI Name1-[[(8S,9S)-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-methyl-3-[3-(2-pyridinyloxy)phenyl]urea
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DownloadsMolfile
FormulaC28H37N7O5
Net Charge0
Average Mass551.648
Monoisotopic Mass551.28562
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)Nc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C28H37N7O5/c1-20-15-35(21(2)18-36)27(37)11-7-13-34-16-23(31-32-34)19-39-25(20)17-33(3)28(38)30-22-8-6-9-24(14-22)40-26-10-4-5-12-29-26/h4-6,8-10,12,14,16,20-21,25,36H,7,11,13,15,17-19H2,1-3H3,(H,30,38)/t20-,21-,25+/m0/s1
InChIKeyWYPGSQIBOYUSAK-STWLZBDKSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9S)-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-methyl-3-[3-(2-pyridinyloxy)phenyl]urea (CHEBI:96047) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9S)-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-methyl-3-[3-(2-pyridinyloxy)phenyl]urea (CHEBI:96047) is a lactam (CHEBI:24995)
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