N-[[(2S,3R)-8-(3-cyanophenyl)-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-oxanecarboxamide (CHEBI:95876)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:95876 - N-[[(2S,3R)-8-(3-cyanophenyl)-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-oxanecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:95876
ChEBI Name	N-[[(2S,3R)-8-(3-cyanophenyl)-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-oxanecarboxamide
Stars
Downloads	Molfile

Formula	C28H34N4O5
Net Charge	0
Average Mass	506.603
Monoisotopic Mass	506.25292
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3cccc(C#N)c3)cnc2O[C@@H]1CN(C)C(=O)C1CCOCC1
InChI	InChI=1S/C28H34N4O5/c1-18-15-32(19(2)17-33)28(35)24-12-23(22-6-4-5-20(11-22)13-29)14-30-26(24)37-25(18)16-31(3)27(34)21-7-9-36-10-8-21/h4-6,11-12,14,18-19,21,25,33H,7-10,15-17H2,1-3H3/t18-,19+,25-/m1/s1
InChIKey	JPQXACXLPZYWDI-HHJKRLRDSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(2S,3R)-8-(3-cyanophenyl)-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-oxanecarboxamide (CHEBI:95876) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-7255	LINCS