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CHEBI:112477 - 1-[[(8R,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-phenylurea

ChEBI IDCHEBI:112477
ChEBI Name1-[[(8R,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-phenylurea
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DownloadsMolfile
FormulaC23H34N6O4
Net Charge0
Average Mass458.563
Monoisotopic Mass458.26415
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Nc1ccccc1
InChIInChI=1S/C23H34N6O4/c1-17-12-29(18(2)15-30)22(31)10-7-11-28-13-20(25-26-28)16-33-21(17)14-27(3)23(32)24-19-8-5-4-6-9-19/h4-6,8-9,13,17-18,21,30H,7,10-12,14-16H2,1-3H3,(H,24,32)/t17-,18-,21+/m1/s1
InChIKeyHYHIJLYQTCYSKX-OPYAIIAOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8R,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-phenylurea (CHEBI:112477) is a azamacrocycle (CHEBI:52898)
1-[[(8R,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-phenylurea (CHEBI:112477) is a lactam (CHEBI:24995)
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