CHEBI:108734 - 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

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ChEBI Name 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
ChEBI ID CHEBI:108734
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)17-5-4-6-18(22(17)34-21(14)10-25-3)27-24(31)26-16-7-8-19-20(9-16)33-13-32-19/h4-9,14-15,21,25,29H,10-13H2,1-3H3,(H2,26,27,31)/t14-,15+,21-/m1/s1
InChIKey LUEPMRNQGZCFGP-LRAJWGHMSA-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-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:108734) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
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