CHEBI:123884 - 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-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-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
ChEBI ID CHEBI:123884
Stars This entity has been manually annotated by a third party.
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Formula C32H44N4O6
Net Charge 0
Average Mass 580.716
Monoisotopic Mass 580.32609
InChI InChI=1S/C32H44N4O6/c1-21-16-36(22(2)19-37)31(38)14-24-13-25(33-32(39)34-26-10-12-28-29(15-26)41-20-40-28)9-11-27(24)42-30(21)18-35(3)17-23-7-5-4-6-8-23/h9-13,15,21-23,30,37H,4-8,14,16-20H2,1-3H3,(H2,33,34,39)/t21-,22-,30+/m1/s1
InChIKey RFZFPTSDEPYSRK-WOGZVKCMSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H]1CN(C)CC5CCCCC5)[C@H](C)CO
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:123884) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
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