CHEBI:114015 - 2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide

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ChEBI Name 2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide ChEBI ID CHEBI:114015 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H33FN2O6S Net Charge 0 Average Mass 556.648 Monoisotopic Mass 556.20434 InChI InChI=1S/C29H33FN2O6S/c1-19-16-32(20(2)18-33)39(35,36)28-13-12-22(21-8-7-9-23(14-21)37-4)15-26(28)38-27(19)17-31(3)29(34)24-10-5-6-11-25(24)30/h5-15,19-20,27,33H,16-18H2,1-4H3/t19-,20-,27-/m0/s1 InChIKey TXBXSWUOPNBBNR-OSOCVKALSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)OC)O[C@H]1CN(C)C(=O)C4=CC=CC=C4F)[C@@H](C)CO ChEBI Ontology Outgoing 2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide (CHEBI:114015) is a carbonyl compound (CHEBI:36586) 2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide (CHEBI:114015) is a organohalogen compound (CHEBI:17792) Manual Xref Database LSM-25447 LINCS View more database links