skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

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,6as,8s,10as)-8-[2-(cyclobutylamino)-2-oxoethyl]-n-(4-fluorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

Preferred term

(3r,6as,8s,10as)-8-[2-(cyclobutylamino)-2-oxoethyl]-n-(4-fluorophenyl)-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

  • C22H30FN3O5

inchi

  • InChI=1S/C22H30FN3O5/c23-14-4-6-16(7-5-14)25-22(29)26-11-17(27)12-30-13-20-19(26)9-8-18(31-20)10-21(28)24-15-2-1-3-15/h4-7,15,17-20,27H,1-3,8-13H2,(H,24,28)(H,25,29)/t17-,18+,19+,20-/m1/s1

inchikey

  • USTKRYYMXKIIKC-FUMNGEBKSA-N

mass

  • 435.490

monoisotopicmass

  • 435.21695

smiles

  • C1CC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)F)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130583

Download this concept:

RDF/XML TURTLE JSON-LD