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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > amino-acid ester > alpha-amino acid ester > (2s,3s,3ar,9br)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
... > organooxygen compound > carbonyl compound > carboxylic ester > amino-acid ester > alpha-amino acid ester > (2s,3s,3ar,9br)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino-acid ester > alpha-amino acid ester > (2s,3s,3ar,9br)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

Preferred term

(2s,3s,3ar,9br)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C25H24FN3O4

inchi

  • InChI=1S/C25H24FN3O4/c1-33-25(32)23-19(14-30)18-13-28-21(22(18)29(23)12-15-8-10-27-11-9-15)7-6-17(24(28)31)16-4-2-3-5-20(16)26/h2-11,18-19,22-23,30H,12-14H2,1H3/t18-,19-,22+,23-/m0/s1

inchikey

  • SOHXSUHWQBDTJV-LBVMUVSTSA-N

mass

  • 449.475

monoisotopicmass

  • 449.17508

smiles

  • COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]2N1CC5=CC=NC=C5)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99480

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