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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 > n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-2-phenylacetamide

Preferred term

n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-2-phenylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C32H35F3N4O5

inchi

  • InChI=1S/C32H35F3N4O5/c1-20-17-39(21(2)19-40)30(42)26-16-25(36-29(41)15-22-7-5-4-6-8-22)13-14-27(26)44-28(20)18-38(3)31(43)37-24-11-9-23(10-12-24)32(33,34)35/h4-14,16,20-21,28,40H,15,17-19H2,1-3H3,(H,36,41)(H,37,43)/t20-,21+,28-/m1/s1

inchikey

  • PRDAOTFPZPBVJB-PHVLTXCSSA-N

mass

  • 612.641

monoisotopicmass

  • 612.25595

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127709

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