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

Preferred term

2-[(1s,3s,4as,9ar)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C19H26N2O6

inchi

  • InChI=1S/C19H26N2O6/c1-21(2)9-17(23)20-11-4-5-15-13(6-11)14-7-12(8-18(24)25-3)26-16(10-22)19(14)27-15/h4-6,12,14,16,19,22H,7-10H2,1-3H3,(H,20,23)/t12-,14-,16-,19+/m0/s1

inchikey

  • IMIOHDVFACJXOK-BCRCDCHUSA-N

mass

  • 378.420

monoisotopicmass

  • 378.17909

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)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99287

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