CHEBI:108749 - N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide

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ChEBI Name N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide
ChEBI ID CHEBI:108749
Stars This entity has been manually annotated by a third party.
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Formula C24H32FN3O5S
Net Charge 0
Average Mass 493.593
Monoisotopic Mass 493.20467
InChI InChI=1S/C24H32FN3O5S/c1-16-13-28(17(2)15-29)24(30)12-18-11-20(7-10-22(18)33-23(16)14-27(3)4)26-34(31,32)21-8-5-19(25)6-9-21/h5-11,16-17,23,26,29H,12-15H2,1-4H3/t16-,17-,23+/m0/s1
InChIKey VCRKNKMPQDEVAF-HKARXFIJSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H]1CN(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide (CHEBI:108749) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20148 LINCS
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