EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96077 - N-[[(2R,3R)-8-[4-[dimethylamino(oxo)methyl]phenyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide

ChEBI IDCHEBI:96077
ChEBI NameN-[[(2R,3R)-8-[4-[dimethylamino(oxo)methyl]phenyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC30H35N5O5
Net Charge0
Average Mass545.640
Monoisotopic Mass545.26382
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(C(=O)N(C)C)cc3)cnc2O[C@H]1CN(C)C(=O)c1ccncc1
InChIInChI=1S/C30H35N5O5/c1-19-16-35(20(2)18-36)30(39)25-14-24(21-6-8-22(9-7-21)28(37)33(3)4)15-32-27(25)40-26(19)17-34(5)29(38)23-10-12-31-13-11-23/h6-15,19-20,26,36H,16-18H2,1-5H3/t19-,20+,26+/m1/s1
InChIKeyXRFBPINVKMLPSW-GOHWNWGWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,3R)-8-[4-[dimethylamino(oxo)methyl]phenyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:96077) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-7456LINCS