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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-[(2r,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-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

Preferred term

n-[(2r,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-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C30H35F3N6O5

inchi

  • InChI=1S/C30H35F3N6O5/c1-17-14-39(19(3)16-40)28(42)22-7-6-8-23(35-27(41)24-13-18(2)36-38(24)5)26(22)44-25(17)15-37(4)29(43)34-21-11-9-20(10-12-21)30(31,32)33/h6-13,17,19,25,40H,14-16H2,1-5H3,(H,34,43)(H,35,41)/t17-,19+,25+/m1/s1

inchikey

  • UNTDJOMPCZLIBL-MIAKESKMSA-N

mass

  • 616.632

monoisotopicmass

  • 616.26210

smiles

  • C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)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:124714

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