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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)-2-[3,4-dihydro-1h-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-n-propan-2-yl-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-1-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)-2-[3,4-dihydro-1h-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-n-propan-2-yl-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-1-carboxamide
organooxygen compound > carboxamide > amino acid amide > (2s,3s,3ar,9br)-2-[3,4-dihydro-1h-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-n-propan-2-yl-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-1-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)-2-[3,4-dihydro-1h-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-n-propan-2-yl-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-1-carboxamide

Preferred term

(2s,3s,3ar,9br)-2-[3,4-dihydro-1h-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-n-propan-2-yl-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizine-1-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H30N4O4

inchi

  • InChI=1S/C25H30N4O4/c1-15(2)26-25(33)29-22-18(13-28-20(22)8-5-9-21(28)31)19(14-30)23(29)24(32)27-11-10-16-6-3-4-7-17(16)12-27/h3-9,15,18-19,22-23,30H,10-14H2,1-2H3,(H,26,33)/t18-,19-,22+,23-/m0/s1

inchikey

  • GPOFJZHTSDGPCB-LBVMUVSTSA-N

mass

  • 450.531

monoisotopicmass

  • 450.22671

smiles

  • CC(C)NC(=O)N1[C@@H]2[C@@H](CN3C2=CC=CC3=O)[C@@H]([C@H]1C(=O)N4CCC5=CC=CC=C5C4)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99074

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