CHEBI:95976 - 1-[[(2R,3S)-8-(2-benzofuranyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-cyclohexyl-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2R,3S)-8-(2-benzofuranyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-cyclohexyl-1-methylurea
ChEBI ID CHEBI:95976
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H38N4O5
Net Charge 0
Average Mass 534.648
Monoisotopic Mass 534.28422
InChI InChI=1S/C30H38N4O5/c1-19-16-34(20(2)18-35)29(36)24-13-22(26-14-21-9-7-8-12-25(21)38-26)15-31-28(24)39-27(19)17-33(3)30(37)32-23-10-5-4-6-11-23/h7-9,12-15,19-20,23,27,35H,4-6,10-11,16-18H2,1-3H3,(H,32,37)/t19-,20+,27-/m0/s1
InChIKey KMTGVSKWCLJEFS-VKIDHGPPSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC4=CC=CC=C4O3)O[C@H]1CN(C)C(=O)NC5CCCCC5)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2R,3S)-8-(2-benzofuranyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-cyclohexyl-1-methylurea (CHEBI:95976) is a benzofurans (CHEBI:35259)
Manual Xref Database
LSM-7355 LINCS
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