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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 > 2-[(2r,4as,12as)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-(2,2,2-trifluoroethyl)acetamide

Preferred term

2-[(2r,4as,12as)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-(2,2,2-trifluoroethyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C26H29F3N4O5

inchi

  • InChI=1S/C26H29F3N4O5/c1-15-3-5-16(6-4-15)31-25(36)32-17-7-10-21-19(11-17)24(35)33(2)20-9-8-18(38-22(20)13-37-21)12-23(34)30-14-26(27,28)29/h3-7,10-11,18,20,22H,8-9,12-14H2,1-2H3,(H,30,34)(H2,31,32,36)/t18-,20+,22-/m1/s1

inchikey

  • PPTVZYJXLGYDRY-KAGYGMCKSA-N

mass

  • 534.528

monoisotopicmass

  • 534.20900

smiles

  • CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)NCC(F)(F)F)N(C3=O)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99268

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