CHEBI:129796 - 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-10-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-10-yl]methanesulfonamide
ChEBI ID CHEBI:129796
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)19-6-5-7-20(26-36(4,31)32)24(19)35-23(16)13-27(3)12-18-8-9-21-22(10-18)34-15-33-21/h5-10,16-17,23,26,29H,11-15H2,1-4H3/t16-,17-,23+/m1/s1
InChIKey LOSHTFMJKXKCOQ-QZMQVMSPSA-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-10-yl]methanesulfonamide (CHEBI:129796) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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