CHEBI:111651 - N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

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ChEBI Name N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
ChEBI ID CHEBI:111651
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H35N3O7S
Net Charge 0
Average Mass 581.682
Monoisotopic Mass 581.21957
InChI InChI=1S/C30H35N3O7S/c1-20-15-33(21(2)18-34)30(35)25-14-23(31-41(36,37)24-7-5-4-6-8-24)10-12-26(25)40-29(20)17-32(3)16-22-9-11-27-28(13-22)39-19-38-27/h4-14,20-21,29,31,34H,15-19H2,1-3H3/t20-,21-,29-/m0/s1
InChIKey YPROYXXRHQGNKF-WURXVLGASA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:111651) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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