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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-(cyclopenten-1-yl)-n-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-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-(cyclopenten-1-yl)-n-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-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-(cyclopenten-1-yl)-n-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-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-(cyclopenten-1-yl)-n-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxamide

Preferred term

(2s,3s,3ar,9br)-7-(cyclopenten-1-yl)-n-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-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

  • C28H32FN3O3

inchi

  • InChI=1S/C28H32FN3O3/c29-23-8-4-3-7-19(23)14-32-25-21(22(16-33)26(32)27(34)30-13-17-9-10-17)15-31-24(25)12-11-20(28(31)35)18-5-1-2-6-18/h3-5,7-8,11-12,17,21-22,25-26,33H,1-2,6,9-10,13-16H2,(H,30,34)/t21-,22-,25+,26-/m0/s1

inchikey

  • KHFULICTXBCFCV-RLBRRGQKSA-N

mass

  • 477.571

monoisotopicmass

  • 477.24277

smiles

  • C1CC=C(C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5=CC=CC=C5F)C(=O)NCC6CC6)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97561

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