CHEBI:125996 - N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide

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ChEBI Name N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
ChEBI ID CHEBI:125996
Stars This entity has been manually annotated by a third party.
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Formula C25H33N3O7S
Net Charge 0
Average Mass 519.612
Monoisotopic Mass 519.20392
InChI InChI=1S/C25H33N3O7S/c1-16-11-28(17(2)14-29)25(30)20-10-19(26-36(4,31)32)6-8-21(20)35-24(16)13-27(3)12-18-5-7-22-23(9-18)34-15-33-22/h5-10,16-17,24,26,29H,11-15H2,1-4H3/t16-,17-,24+/m1/s1
InChIKey BIPWQDPXNYPYPT-OJLQRUNKSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:125996) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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