EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:110095 - N-[[(2R,3R)-8-(4-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide

ChEBI IDCHEBI:110095
ChEBI NameN-[[(2R,3R)-8-(4-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC28H29N5O4
Net Charge0
Average Mass499.571
Monoisotopic Mass499.22195
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@H]1CN(C)C(=O)c1cccnc1
InChIInChI=1S/C28H29N5O4/c1-18-15-33(19(2)17-34)28(36)24-11-23(21-8-6-20(12-29)7-9-21)14-31-26(24)37-25(18)16-32(3)27(35)22-5-4-10-30-13-22/h4-11,13-14,18-19,25,34H,15-17H2,1-3H3/t18-,19-,25+/m1/s1
InChIKeyDGDCFHNDGOPSJV-RRQZXNHTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,3R)-8-(4-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide (CHEBI:110095) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-21522LINCS