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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-[(1s,3s,4ar,9as)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-[(1s)-1-phenylethyl]acetamide

Preferred term

2-[(1s,3s,4ar,9as)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-3-yl]-n-[(1s)-1-phenylethyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C30H30F3N3O5

inchi

  • InChI=1S/C30H30F3N3O5/c1-17(18-5-3-2-4-6-18)34-27(38)15-22-14-24-23-13-21(11-12-25(23)41-28(24)26(16-37)40-22)36-29(39)35-20-9-7-19(8-10-20)30(31,32)33/h2-13,17,22,24,26,28,37H,14-16H2,1H3,(H,34,38)(H2,35,36,39)/t17-,22-,24+,26-,28-/m0/s1

inchikey

  • HZCFRKFPOJNJBV-KFWJVWFGSA-N

mass

  • 569.573

monoisotopicmass

  • 569.21376

smiles

  • C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97689

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