CHEBI:106234 - 1-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
ChEBI ID CHEBI:106234
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H36N4O4
Net Charge 0
Average Mass 444.568
Monoisotopic Mass 444.27366
InChI InChI=1S/C24H36N4O4/c1-5-10-25-24(31)27(4)14-21-16(2)13-28(17(3)15-29)23(30)20-11-19(12-26-22(20)32-21)18-8-6-7-9-18/h8,11-12,16-17,21,29H,5-7,9-10,13-15H2,1-4H3,(H,25,31)/t16-,17+,21-/m1/s1
InChIKey FYPIPCFJMPJNQJ-LLGFUMIMSA-N
SMILES CCCNC(=O)N(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(O1)N=CC(=C2)C3=CCCC3)[C@@H](C)CO)C
ChEBI Ontology
Outgoing 1-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea (CHEBI:106234) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-17595 LINCS
View more database links