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Concept information

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

Preferred term

3-[[[(2r,3s)-8-(2-cyclopropylethynyl)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl-methylamino]methyl]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H33N3O5

inchi

  • InChI=1S/C28H33N3O5/c1-18-14-31(19(2)17-32)27(33)24-12-21(10-9-20-7-8-20)13-29-26(24)36-25(18)16-30(3)15-22-5-4-6-23(11-22)28(34)35/h4-6,11-13,18-20,25,32H,7-8,14-17H2,1-3H3,(H,34,35)/t18-,19-,25-/m0/s1

inchikey

  • UQQOYFSIYPJILQ-MHPIHPPYSA-N

mass

  • 491.580

monoisotopicmass

  • 491.24202

smiles

  • C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CC3)O[C@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:110054

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