CHEBI:103798 - 3-(3-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(3-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:103798
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H33FN4O4
Net Charge 0
Average Mass 496.575
Monoisotopic Mass 496.24858
InChI InChI=1S/C27H33FN4O4/c1-5-6-7-9-20-12-23-25(29-14-20)36-24(18(2)15-32(26(23)34)19(3)17-33)16-31(4)27(35)30-22-11-8-10-21(28)13-22/h8,10-14,18-19,24,33H,5-6,15-17H2,1-4H3,(H,30,35)/t18-,19+,24+/m0/s1
InChIKey QSIOMQGNLKPVMQ-XLNZFTOWSA-N
SMILES CCCC#CC1=CC2=C(N=C1)O[C@@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)C(=O)NC3=CC(=CC=C3)F
ChEBI Ontology
Outgoing 3-(3-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:103798) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-15142 LINCS
View more database links