CHEBI:108726 - 1-[(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]-3-(4-methoxyphenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(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]-3-(4-methoxyphenyl)urea
ChEBI ID CHEBI:108726
Stars This entity has been manually annotated by a third party.
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Formula C32H46N4O5
Net Charge 0
Average Mass 566.733
Monoisotopic Mass 566.34682
InChI InChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)31(38)17-25-16-27(34-32(39)33-26-10-13-28(40-4)14-11-26)12-15-29(25)41-30(22)20-35(3)19-24-8-6-5-7-9-24/h10-16,22-24,30,37H,5-9,17-21H2,1-4H3,(H2,33,34,39)/t22-,23+,30-/m1/s1
InChIKey QTHBIZIZCLMCFV-DUELTEGESA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[(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]-3-(4-methoxyphenyl)urea (CHEBI:108726) is a ureas (CHEBI:47857)
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