CHEBI:124574 - 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
ChEBI ID CHEBI:124574
Stars This entity has been manually annotated by a third party.
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Formula C24H30N4O6
Net Charge 0
Average Mass 470.519
Monoisotopic Mass 470.21653
InChI InChI=1S/C24H30N4O6/c1-14-11-28(15(2)12-29)23(30)18-8-16(4-6-19(18)34-22(14)10-25-3)26-24(31)27-17-5-7-20-21(9-17)33-13-32-20/h4-9,14-15,22,25,29H,10-13H2,1-3H3,(H2,26,27,31)/t14-,15-,22+/m1/s1
InChIKey LIDWFCLAMCLFLQ-HLFMIMNKSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:124574) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
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