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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-[(1s,3r,4as,9ar)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2,5-difluorophenyl)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-[(1s,3r,4as,9ar)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2,5-difluorophenyl)methyl]acetamide
organooxygen compound > carboxamide > amino acid amide > 2-[(1s,3r,4as,9ar)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2,5-difluorophenyl)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-[(1s,3r,4as,9ar)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2,5-difluorophenyl)methyl]acetamide

Preferred term

2-[(1s,3r,4as,9ar)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2,5-difluorophenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H29F2N3O5

inchi

  • InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19+,22+,25-/m1/s1

inchikey

  • PTZKUMYBXIPSAJ-ZAZKGPHZSA-N

mass

  • 489.513

monoisotopicmass

  • 489.20753

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=C(C=CC(=C4)F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101856

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