CHEBI:111796 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide ChEBI ID CHEBI:111796 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H27N3O5S Net Charge 0 Average Mass 385.480 Monoisotopic Mass 385.16714 InChI InChI=1S/C17H27N3O5S/c1-11-9-20(12(2)10-21)17(22)14-7-13(19-26(4,23)24)5-6-15(14)25-16(11)8-18-3/h5-7,11-12,16,18-19,21H,8-10H2,1-4H3/t11-,12-,16+/m0/s1 InChIKey HMGKWXPABBQPJW-MQIPJXDCSA-N SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CNC)[C@@H](C)CO ChEBI Ontology Outgoing N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:111796) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-23209 LINCS View more database links