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CHEBI:95691 - 1-[[(8R,9S)-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-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]urea

ChEBI IDCHEBI:95691
ChEBI Name1-[[(8R,9S)-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-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)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C28H44N8O4/c1-21-17-35(22(2)19-37)27(38)6-5-11-36-25(16-29-31-36)20-40-26(21)18-33(4)28(39)30-23-7-9-24(10-8-23)34-14-12-32(3)13-15-34/h7-10,16,21-22,26,37H,5-6,11-15,17-20H2,1-4H3,(H,30,39)/t21-,22-,26-/m1/s1
InChIKeyLMWGPKORGYIWNW-XLGIIRLISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8R,9S)-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-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]urea (CHEBI:95691) is a azamacrocycle (CHEBI:52898)
1-[[(8R,9S)-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-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]urea (CHEBI:95691) is a lactam (CHEBI:24995)
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