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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,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

Preferred term

n-[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C31H34F3N5O5

inchi

  • InChI=1S/C31H34F3N5O5/c1-19-16-39(20(2)18-40)28(41)15-22-14-25(36-29(42)21-10-12-35-13-11-21)8-9-26(22)44-27(19)17-38(3)30(43)37-24-6-4-23(5-7-24)31(32,33)34/h4-14,19-20,27,40H,15-18H2,1-3H3,(H,36,42)(H,37,43)/t19-,20+,27-/m0/s1

inchikey

  • WSQKSOCZDSLUAF-VKIDHGPPSA-N

mass

  • 613.629

monoisotopicmass

  • 613.25120

smiles

  • C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=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:124102

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