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CHEBI:96930 - 1-[[(8S,9R)-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-(1-piperidinyl)phenyl]urea

ChEBI IDCHEBI:96930
ChEBI Name1-[[(8S,9R)-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-(1-piperidinyl)phenyl]urea
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DownloadsMolfile
FormulaC28H43N7O4
Net Charge0
Average Mass541.697
Monoisotopic Mass541.33765
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cnnn2CCCC1=O
InChIInChI=1S/C28H43N7O4/c1-21-17-34(22(2)19-36)27(37)8-7-15-35-25(16-29-31-35)20-39-26(21)18-32(3)28(38)30-23-9-11-24(12-10-23)33-13-5-4-6-14-33/h9-12,16,21-22,26,36H,4-8,13-15,17-20H2,1-3H3,(H,30,38)/t21-,22+,26-/m0/s1
InChIKeyWJAIMBKFVIKGAD-VRUMLPLGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9R)-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-(1-piperidinyl)phenyl]urea (CHEBI:96930) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9R)-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-(1-piperidinyl)phenyl]urea (CHEBI:96930) is a lactam (CHEBI:24995)
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