CHEBI:108780 - 3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

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ChEBI Name 3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:108780
Stars This entity has been manually annotated by a third party.
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Formula C26H34N4O6
Net Charge 0
Average Mass 498.572
Monoisotopic Mass 498.24783
InChI InChI=1S/C26H34N4O6/c1-16-12-30(17(2)14-31)25(32)19-7-6-8-20(28(3)4)24(19)36-23(16)13-29(5)26(33)27-18-9-10-21-22(11-18)35-15-34-21/h6-11,16-17,23,31H,12-15H2,1-5H3,(H,27,33)/t16-,17-,23-/m1/s1
InChIKey DFCREXDAKHJSKD-SEPYTNNBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO
ChEBI Ontology
Outgoing 3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:108780) is a benzodioxoles (CHEBI:38298)
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