CHEBI:103775 - 1-[[(8S,9R)-6-[(2S)-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-[3-(2-pyridinyloxy)phenyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(8S,9R)-6-[(2S)-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-[3-(2-pyridinyloxy)phenyl]urea
ChEBI ID CHEBI:103775
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H37N7O5
Net Charge 0
Average Mass 551.638
Monoisotopic Mass 551.28562
InChI InChI=1S/C28H37N7O5/c1-20-16-34(21(2)18-36)27(37)11-7-13-35-23(15-30-32-35)19-39-25(20)17-33(3)28(38)31-22-8-6-9-24(14-22)40-26-10-4-5-12-29-26/h4-6,8-10,12,14-15,20-21,25,36H,7,11,13,16-19H2,1-3H3,(H,31,38)/t20-,21-,25-/m0/s1
InChIKey GHLJLHKVBJDFKH-WATLYSKOSA-N
SMILES C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=N4)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[[(8S,9R)-6-[(2S)-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-[3-(2-pyridinyloxy)phenyl]urea (CHEBI:103775) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9R)-6-[(2S)-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-[3-(2-pyridinyloxy)phenyl]urea (CHEBI:103775) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-15119 LINCS
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