CHEBI:129028 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:129028
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H31N3O6S
Net Charge 0
Average Mass 477.576
Monoisotopic Mass 477.19336
InChI InChI=1S/C23H31N3O6S/c1-15-13-26(16(2)14-27)23(28)19-6-5-7-20(22(19)32-21(15)12-24-3)25-33(29,30)18-10-8-17(31-4)9-11-18/h5-11,15-16,21,24-25,27H,12-14H2,1-4H3/t15-,16+,21-/m0/s1
InChIKey QOQOLXTVYWSIIG-MRUHUIDDSA-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]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide (CHEBI:129028) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-40580 LINCS
View more database links