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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > 2-[[[(4r,5r)-8-(4-fluorophenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 2-[[[(4r,5r)-8-(4-fluorophenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 2-[[[(4r,5r)-8-(4-fluorophenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 2-[[[(4r,5r)-8-(4-fluorophenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
organic aromatic compound > aromatic carboxylic acid > benzoic acids > 2-[[[(4r,5r)-8-(4-fluorophenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

Preferred term

2-[[[(4r,5r)-8-(4-fluorophenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H33FN2O6S

inchi

  • InChI=1S/C29H33FN2O6S/c1-19-15-32(20(2)18-33)39(36,37)28-13-10-22(21-8-11-24(30)12-9-21)14-26(28)38-27(19)17-31(3)16-23-6-4-5-7-25(23)29(34)35/h4-14,19-20,27,33H,15-18H2,1-3H3,(H,34,35)/t19-,20-,27+/m1/s1

inchikey

  • KSASPYMRGHUFQD-DVHCVUMVSA-N

mass

  • 556.648

monoisotopicmass

  • 556.20434

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)F)O[C@H]1CN(C)CC4=CC=CC=C4C(=O)O)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95613

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