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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > 2-[(2r,5s,6s)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-n-[2-(1-pyrrolidinyl)ethyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > 2-[(2r,5s,6s)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-n-[2-(1-pyrrolidinyl)ethyl]acetamide

Preferred term

2-[(2r,5s,6s)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-n-[2-(1-pyrrolidinyl)ethyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H31F3N4O4

inchi

  • InChI=1S/C22H31F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)27-21(32)28-18-8-7-17(33-19(18)14-30)13-20(31)26-9-12-29-10-1-2-11-29/h3-6,17-19,30H,1-2,7-14H2,(H,26,31)(H2,27,28,32)/t17-,18+,19-/m1/s1

inchikey

  • SLCLMSLRMDGYCU-CEXWTWQISA-N

mass

  • 472.502

monoisotopicmass

  • 472.22974

smiles

  • C1CCN(C1)CCNC(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119044

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