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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)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide

Preferred term

n-[(2s,3r)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H31FN6O5

inchi

  • InChI=1S/C28H31FN6O5/c1-17-14-35(18(2)16-36)27(38)21-5-4-6-22(33-26(37)23-13-30-11-12-31-23)25(21)40-24(17)15-34(3)28(39)32-20-9-7-19(29)8-10-20/h4-13,17-18,24,36H,14-16H2,1-3H3,(H,32,39)(H,33,37)/t17-,18-,24-/m1/s1

inchikey

  • CPPFQQQOTXHNMM-QZTZHPFYSA-N

mass

  • 550.582

monoisotopicmass

  • 550.23400

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108863

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