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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 > organonitrogen compound > amino-acid derivative > amino acid amide > lsm-14613
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > lsm-14613
organooxygen compound > carboxamide > amino acid amide > lsm-14613
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > amino acid amide > lsm-14613

Preferred term

lsm-14613  

Type

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

Broader concept

charge

  • 0

formula

  • C27H28FN5O3

inchi

  • InChI=1S/C27H28FN5O3/c1-2-3-19-6-9-23-24-21(14-32(23)27(19)36)22(15-34)25(33(24)13-18-10-29-16-30-11-18)26(35)31-12-17-4-7-20(28)8-5-17/h2-11,16,21-22,24-25,34H,12-15H2,1H3,(H,31,35)/t21-,22-,24+,25-/m1/s1

inchikey

  • LGAKJZSEUNBQTH-YQIMAOPZSA-N

mass

  • 489.542

monoisotopicmass

  • 489.21762

smiles

  • CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=CN=CN=C4)C(=O)NCC5=CC=C(C=C5)F)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103269

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