CHEBI:123986 - 1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
ChEBI ID CHEBI:123986
Stars This entity has been manually annotated by a third party.
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Formula C29H41N5O4
Net Charge 0
Average Mass 523.668
Monoisotopic Mass 523.31585
InChI InChI=1S/C29H41N5O4/c1-20-16-34(21(2)19-35)28(36)25-15-24(32-29(37)31-23-7-5-4-6-8-23)9-10-26(25)38-27(20)18-33(3)17-22-11-13-30-14-12-22/h9-15,20-21,23,27,35H,4-8,16-19H2,1-3H3,(H2,31,32,37)/t20-,21-,27-/m0/s1
InChIKey YVEASBWYPHDRCF-IZVMNLJQSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:123986) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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