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Chemistry, part 1

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Concept information

... > 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 amide > (2s,3s,3ar,9br)-7-(1-cyclopentenyl)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-n,n-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > (2s,3s,3ar,9br)-7-(1-cyclopentenyl)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-n,n-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxamide
organooxygen compound > carboxamide > amino acid amide > (2s,3s,3ar,9br)-7-(1-cyclopentenyl)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-n,n-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > amino acid amide > (2s,3s,3ar,9br)-7-(1-cyclopentenyl)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-n,n-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxamide

Preferred term

(2s,3s,3ar,9br)-7-(1-cyclopentenyl)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-n,n-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C26H28FN3O4

inchi

  • InChI=1S/C26H28FN3O4/c1-28(2)26(34)23-19(14-31)18-13-29-21(12-11-16(24(29)32)15-7-3-4-8-15)22(18)30(23)25(33)17-9-5-6-10-20(17)27/h5-7,9-12,18-19,22-23,31H,3-4,8,13-14H2,1-2H3/t18-,19-,22+,23-/m0/s1

inchikey

  • QRPMBXIBVHHSCR-LBVMUVSTSA-N

mass

  • 465.518

monoisotopicmass

  • 465.20638

smiles

  • CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1C(=O)C5=CC=CC=C5F)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100137

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