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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > 4-[[[(2s,3s)-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 4-[[[(2s,3s)-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-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-[[[(2s,3s)-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-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-[[[(2s,3s)-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
organic aromatic compound > aromatic carboxylic acid > benzoic acids > 4-[[[(2s,3s)-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid

Preferred term

4-[[[(2s,3s)-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H35N3O5

inchi

  • InChI=1S/C26H35N3O5/c1-17-13-29(18(2)16-30)25(31)22-12-21(27(3)4)10-11-23(22)34-24(17)15-28(5)14-19-6-8-20(9-7-19)26(32)33/h6-12,17-18,24,30H,13-16H2,1-5H3,(H,32,33)/t17-,18-,24+/m0/s1

inchikey

  • FJGZHPFXFFYSRN-LLJLJFOGSA-N

mass

  • 469.574

monoisotopicmass

  • 469.25767

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)O)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124114

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