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

Preferred term

(2s,3s,3ar,9br)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-6-oxo-n-(2-pyridin-4-ylethyl)-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

  • C27H30N4O4

inchi

  • InChI=1S/C27H30N4O4/c1-35-23-7-3-2-5-19(23)15-31-25-20(16-30-22(25)6-4-8-24(30)33)21(17-32)26(31)27(34)29-14-11-18-9-12-28-13-10-18/h2-10,12-13,20-21,25-26,32H,11,14-17H2,1H3,(H,29,34)/t20-,21-,25+,26-/m0/s1

inchikey

  • SNUVNVMLNYTLKH-MSNAGZIKSA-N

mass

  • 474.553

monoisotopicmass

  • 474.22671

smiles

  • COC1=CC=CC=C1CN2[C@@H]3[C@@H](CN4C3=CC=CC4=O)[C@@H]([C@H]2C(=O)NCCC5=CC=NC=C5)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97082

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