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Concept information

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

Preferred term

4-[[[(4r,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-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

  • C30H36N2O6S

inchi

  • InChI=1S/C30H36N2O6S/c1-20-7-5-6-8-26(20)25-13-14-29-27(15-25)38-28(21(2)16-32(22(3)19-33)39(29,36)37)18-31(4)17-23-9-11-24(12-10-23)30(34)35/h5-15,21-22,28,33H,16-19H2,1-4H3,(H,34,35)/t21-,22+,28-/m1/s1

inchikey

  • VHCZRFPKNWPULV-RZIGYZOXSA-N

mass

  • 552.684

monoisotopicmass

  • 552.22941

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3C)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96105

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