CHEBI:95609 - (2S)-2-[(4S,5S)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (2S)-2-[(4S,5S)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:95609 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H32FN3O4S Net Charge 0 Average Mass 513.626 Monoisotopic Mass 513.20976 InChI InChI=1S/C27H32FN3O4S/c1-19-15-31(20(2)18-32)36(33,34)27-11-10-22(23-8-4-5-9-24(23)28)13-25(27)35-26(19)17-30(3)16-21-7-6-12-29-14-21/h4-14,19-20,26,32H,15-18H2,1-3H3/t19-,20-,26+/m0/s1 InChIKey JEPVQKOMBMDDOB-CUVVAGTFSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3F)O[C@@H]1CN(C)CC4=CN=CC=C4)[C@@H](C)CO ChEBI Ontology Outgoing (2S)-2-[(4S,5S)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:95609) is a organofluorine compound (CHEBI:37143) Manual Xref Database LSM-6988 LINCS View more database links