CHEBI:106280 - N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide
ChEBI ID CHEBI:106280
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H31N5O4
Net Charge 0
Average Mass 489.567
Monoisotopic Mass 489.23760
InChI InChI=1S/C27H31N5O4/c1-18-14-32(19(2)16-33)27(35)23-10-21(22-11-28-17-29-12-22)13-30-26(23)36-24(18)15-31(3)25(34)9-20-7-5-4-6-8-20/h4-8,10-13,17-19,24,33H,9,14-16H2,1-3H3/t18-,19+,24-/m1/s1
InChIKey QDRMLRNWHHCLDG-YDIMBITNSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CN=CN=C3)O[C@@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:106280) is a acetamides (CHEBI:22160)
Manual Xref Database
LSM-17641 LINCS
View more database links