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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,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-[(1r)-1-phenylethyl]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,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-[(1r)-1-phenylethyl]acetamide
organooxygen compound > carboxamide > amino acid amide > 2-[(1r,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-[(1r)-1-phenylethyl]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,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-[(1r)-1-phenylethyl]acetamide

Preferred term

2-[(1r,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-[(1r)-1-phenylethyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C26H33N3O5

inchi

  • InChI=1S/C26H33N3O5/c1-16(17-7-5-4-6-8-17)27-24(31)13-19-12-21-20-11-18(28-25(32)14-29(2)3)9-10-22(20)34-26(21)23(15-30)33-19/h4-11,16,19,21,23,26,30H,12-15H2,1-3H3,(H,27,31)(H,28,32)/t16-,19+,21-,23-,26+/m1/s1

inchikey

  • DDTMCUFVLBWJID-FNOOYVSXSA-N

mass

  • 467.558

monoisotopicmass

  • 467.24202

smiles

  • C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CN(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123100

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