CHEBI:127406 - N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

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ChEBI Name N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
ChEBI ID CHEBI:127406
Stars This entity has been manually annotated by a third party.
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Formula C25H35N3O6S
Net Charge 0
Average Mass 505.629
Monoisotopic Mass 505.22466
InChI InChI=1S/C25H35N3O6S/c1-17-14-28(18(2)16-29)25(30)21-8-7-9-22(26(3)4)24(21)34-23(17)15-27(5)35(31,32)20-12-10-19(33-6)11-13-20/h7-13,17-18,23,29H,14-16H2,1-6H3/t17-,18+,23-/m0/s1
InChIKey OMQHFJKBCUHLTI-IXFSTUDKSA-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)OC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:127406) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-38964 LINCS
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