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Concept information

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

Preferred term

4-[[[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-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

  • C32H35N3O5

inchi

  • InChI=1S/C32H35N3O5/c1-22-18-35(23(2)21-36)31(37)28-16-26(11-7-10-24-8-5-4-6-9-24)17-33-30(28)40-29(22)20-34(3)19-25-12-14-27(15-13-25)32(38)39/h4-6,8-9,12-17,22-23,29,36H,10,18-21H2,1-3H3,(H,38,39)/t22-,23+,29-/m1/s1

inchikey

  • FGMBKJAJBFHUEJ-RLPNJSHFSA-N

mass

  • 541.639

monoisotopicmass

  • 541.25767

smiles

  • C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCC3=CC=CC=C3)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:95484

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