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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C28H36N4O5

inchi

  • InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23+,25-,27-/m1/s1

inchikey

  • VIZOEWJOWGMLTK-WWUYVNTOSA-N

mass

  • 508.610

monoisotopicmass

  • 508.26857

smiles

  • C1CCN(CC1)CCNC(=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:100384

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