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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 > 2-[(1r,3r,4as,9ar)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-[(2-methoxyphenyl)methyl]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-[(1r,3r,4as,9ar)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-[(2-methoxyphenyl)methyl]acetamide
organooxygen compound > carboxamide > amino acid amide > 2-[(1r,3r,4as,9ar)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-[(2-methoxyphenyl)methyl]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-[(1r,3r,4as,9ar)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-[(2-methoxyphenyl)methyl]acetamide

Preferred term

2-[(1r,3r,4as,9ar)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-[(2-methoxyphenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C26H33N3O6

inchi

  • InChI=1S/C26H33N3O6/c1-29(2)14-25(32)28-17-8-9-22-19(10-17)20-11-18(34-23(15-30)26(20)35-22)12-24(31)27-13-16-6-4-5-7-21(16)33-3/h4-10,18,20,23,26,30H,11-15H2,1-3H3,(H,27,31)(H,28,32)/t18-,20+,23-,26-/m1/s1

inchikey

  • YCZDHCVCWSKGTE-ZBYDKNLWSA-N

mass

  • 483.558

monoisotopicmass

  • 483.23694

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=CC=C4OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97584

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