CHEBI:108854 - N-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,4-dimethylbenzenesulfonamide

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ChEBI Name N-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,4-dimethylbenzenesulfonamide
ChEBI ID CHEBI:108854
Stars This entity has been manually annotated by a third party.
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Formula C25H35N3O5S
Net Charge 0
Average Mass 489.630
Monoisotopic Mass 489.22974
InChI InChI=1S/C25H35N3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(6)15-23-18(2)14-28(19(3)16-29)25(30)21-8-7-9-22(26(4)5)24(21)33-23/h7-13,18-19,23,29H,14-16H2,1-6H3/t18-,19+,23-/m1/s1
InChIKey ANXKOFDVDMSSFK-SELNLUPBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:108854) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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