CHEBI:124099 - 1-cyclohexyl-3-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-cyclohexyl-3-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
ChEBI ID CHEBI:124099
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H50N4O4
Net Charge 0
Average Mass 542.754
Monoisotopic Mass 542.38321
InChI InChI=1S/C31H50N4O4/c1-22-18-35(23(2)21-36)30(37)17-25-16-27(33-31(38)32-26-12-8-5-9-13-26)14-15-28(25)39-29(22)20-34(3)19-24-10-6-4-7-11-24/h14-16,22-24,26,29,36H,4-13,17-21H2,1-3H3,(H2,32,33,38)/t22-,23+,29-/m1/s1
InChIKey JQDBFISYHKVRFB-RLPNJSHFSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-cyclohexyl-3-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:124099) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-35541 LINCS
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