skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic amide > 4,4,4-trifluoro-n-[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > 4,4,4-trifluoro-n-[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > 4,4,4-trifluoro-n-[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > aromatic amide > 4,4,4-trifluoro-n-[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide

Preferred term

4,4,4-trifluoro-n-[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C20H28F3N3O4

inchi

  • InChI=1S/C20H28F3N3O4/c1-12-10-26(13(2)11-27)19(29)15-8-14(25-18(28)6-7-20(21,22)23)4-5-16(15)30-17(12)9-24-3/h4-5,8,12-13,17,24,27H,6-7,9-11H2,1-3H3,(H,25,28)/t12-,13+,17-/m0/s1

inchikey

  • MJOLMSVGHZLLLZ-AHIWAGSCSA-N

mass

  • 431.450

monoisotopicmass

  • 431.20319

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CNC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113799

Download this concept:

RDF/XML TURTLE JSON-LD