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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 > (3r,6ar,8s,10ar)-n-(4-chlorophenyl)-3-hydroxy-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

Preferred term

(3r,6ar,8s,10ar)-n-(4-chlorophenyl)-3-hydroxy-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocine-1-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H31ClN4O5

inchi

  • InChI=1S/C25H31ClN4O5/c26-18-1-3-19(4-2-18)29-25(33)30-14-20(31)15-34-16-23-22(30)6-5-21(35-23)13-24(32)28-12-9-17-7-10-27-11-8-17/h1-4,7-8,10-11,20-23,31H,5-6,9,12-16H2,(H,28,32)(H,29,33)/t20-,21+,22-,23+/m1/s1

inchikey

  • FBDAABQSIPDTIW-ACESQOTJSA-N

mass

  • 502.991

monoisotopicmass

  • 502.19830

smiles

  • C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)NC3=CC=C(C=C3)Cl)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126942

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