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Chemistry, part 1

Content language

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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 > 2-[(1s,3s,4ar,9as)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(pyridin-4-ylmethyl)acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > 2-[(1s,3s,4ar,9as)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(pyridin-4-ylmethyl)acetamide
organooxygen compound > carboxamide > amino acid amide > 2-[(1s,3s,4ar,9as)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(pyridin-4-ylmethyl)acetamide
... > 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 > 2-[(1s,3s,4ar,9as)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(pyridin-4-ylmethyl)acetamide

Preferred term

2-[(1s,3s,4ar,9as)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(pyridin-4-ylmethyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C24H30N4O5

inchi

  • InChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-3-4-20-18(9-16)19-10-17(32-21(14-29)24(19)33-20)11-22(30)26-12-15-5-7-25-8-6-15/h3-9,17,19,21,24,29H,10-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19+,21-,24-/m0/s1

inchikey

  • AXSMPGQCOGKKGU-PMSBSAKUSA-N

mass

  • 454.520

monoisotopicmass

  • 454.22162

smiles

  • CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=NC=C4

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122894

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