CHEBI:114095 - N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide ChEBI ID CHEBI:114095 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H34N2O6S Net Charge 0 Average Mass 490.614 Monoisotopic Mass 490.21376 InChI InChI=1S/C25H34N2O6S/c1-6-25(29)26(4)15-23-17(2)14-27(18(3)16-28)34(30,31)24-12-9-20(13-22(24)33-23)19-7-10-21(32-5)11-8-19/h7-13,17-18,23,28H,6,14-16H2,1-5H3/t17-,18+,23+/m0/s1 InChIKey JVFXTLNLNPGAHH-YZZKKUAISA-N SMILES CCC(=O)N(C)C[C@@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=C(C=C3)OC)[C@H](C)CO)C ChEBI Ontology Outgoing N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide (CHEBI:114095) is a methoxybenzenes (CHEBI:51683) Manual Xref Database LSM-25527 LINCS View more database links