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CHEBI:95685 - 1-[[(8R,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-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]urea

ChEBI IDCHEBI:95685
ChEBI Name1-[[(8R,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-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]urea
Stars
DownloadsMolfile
FormulaC28H44N8O4
Net Charge0
Average Mass556.712
Monoisotopic Mass556.34855
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C28H44N8O4/c1-21-16-36(22(2)19-37)27(38)6-5-11-35-17-24(30-31-35)20-40-26(21)18-33(4)28(39)29-23-7-9-25(10-8-23)34-14-12-32(3)13-15-34/h7-10,17,21-22,26,37H,5-6,11-16,18-20H2,1-4H3,(H,29,39)/t21-,22+,26+/m1/s1
InChIKeyAFGWKCDRVGDDFW-UFPGJGBJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8R,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-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]urea (CHEBI:95685) is a azamacrocycle (CHEBI:52898)
1-[[(8R,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-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]urea (CHEBI:95685) is a lactam (CHEBI:24995)
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