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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)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-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)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-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

  • C25H36ClN3O5

inchi

  • InChI=1S/C25H36ClN3O5/c26-18-6-8-19(9-7-18)28-25(32)29-14-20(30)15-33-16-23-22(29)11-10-21(34-23)12-24(31)27-13-17-4-2-1-3-5-17/h6-9,17,20-23,30H,1-5,10-16H2,(H,27,31)(H,28,32)/t20-,21+,22-,23+/m1/s1

inchikey

  • SYCYKHHPUCXRJT-ACESQOTJSA-N

mass

  • 494.024

monoisotopicmass

  • 493.23435

smiles

  • C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)Cl)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99228

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