CHEBI:113570 - N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methoxybenzenesulfonamide

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ChEBI Name N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:113570
Stars This entity has been manually annotated by a third party.
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Formula C24H33N3O6S
Net Charge 0
Average Mass 491.602
Monoisotopic Mass 491.20901
InChI InChI=1S/C24H33N3O6S/c1-16-13-27(17(2)15-28)24(29)21-12-18(6-11-22(21)33-23(16)14-26(3)4)25-34(30,31)20-9-7-19(32-5)8-10-20/h6-12,16-17,23,25,28H,13-15H2,1-5H3/t16-,17+,23+/m0/s1
InChIKey IFPHIOSYEQPMRT-YGKZAACZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@@H]1CN(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methoxybenzenesulfonamide (CHEBI:113570) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-25002 LINCS
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