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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-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-cyclohexylacetamide

Preferred term

2-[(1s,3s,4ar,9as)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-cyclohexylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H32FN3O5

inchi

  • InChI=1S/C27H32FN3O5/c28-21-8-4-5-9-22(21)31-27(34)30-17-10-11-23-19(12-17)20-13-18(35-24(15-32)26(20)36-23)14-25(33)29-16-6-2-1-3-7-16/h4-5,8-12,16,18,20,24,26,32H,1-3,6-7,13-15H2,(H,29,33)(H2,30,31,34)/t18-,20+,24-,26-/m0/s1

inchikey

  • GAKFIKLLFOVZGV-DZVUWMEYSA-N

mass

  • 497.560

monoisotopicmass

  • 497.23260

smiles

  • C1CCC(CC1)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=C5F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98098

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