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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 > amide > primary amide > ureas > 2-[(1s,3s,4ar,9as)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-cyclopentylacetamide

Preferred term

2-[(1s,3s,4ar,9as)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-cyclopentylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C26H31N3O5

inchi

  • InChI=1S/C26H31N3O5/c30-15-23-25-21(13-19(33-23)14-24(31)27-16-8-4-5-9-16)20-12-18(10-11-22(20)34-25)29-26(32)28-17-6-2-1-3-7-17/h1-3,6-7,10-12,16,19,21,23,25,30H,4-5,8-9,13-15H2,(H,27,31)(H2,28,29,32)/t19-,21+,23-,25-/m0/s1

inchikey

  • MCJXNBRGFCMFNB-PYTYSOFPSA-N

mass

  • 465.542

monoisotopicmass

  • 465.22637

smiles

  • C1CCC(C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:117306

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