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Chemistry, part 1

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Concept information

organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > (2r,3r,3as,9bs)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > tertiary carboxamide > (2r,3r,3as,9bs)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid
organooxygen compound > carboxamide > tertiary carboxamide > (2r,3r,3as,9bs)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > tertiary carboxamide > (2r,3r,3as,9bs)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid

Preferred term

(2r,3r,3as,9bs)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C23H26N4O5

inchi

  • InChI=1S/C23H26N4O5/c28-11-17-16-10-26-18(7-6-15(22(26)30)14-8-24-12-25-9-14)19(16)27(20(17)23(31)32)21(29)13-4-2-1-3-5-13/h6-9,12-13,16-17,19-20,28H,1-5,10-11H2,(H,31,32)/t16-,17-,19+,20-/m1/s1

inchikey

  • QRMANUUKSUBTTM-IZBJGVDFSA-N

mass

  • 438.477

monoisotopicmass

  • 438.19032

smiles

  • C1CCC(CC1)C(=O)N2[C@H]3[C@H](CN4C3=CC=C(C4=O)C5=CN=CN=C5)[C@H]([C@@H]2C(=O)O)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99452

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