skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

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 > proteinogenic amino acid derivative > l-alanine derivative > compound e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > alanine derivative > l-alanine derivative > compound e
organofluorine compound > fluorobenzenes > difluorobenzene > compound e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzodiazepine > 1,4-benzodiazepinone > compound e
organic heterocyclic compound > organonitrogen heterocyclic compound > benzodiazepine > 1,4-benzodiazepinone > compound e
organic heterocyclic compound > organic heteropolycyclic compound > benzodiazepine > 1,4-benzodiazepinone > compound e

Preferred term

compound e  

Type

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

Broader concept

alt_id

  • CHEBI:131161

charge

  • 0

formula

  • C27H24F2N4O3

has_role

inchi

  • InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25+/m0/s1

inchikey

  • JNGZXGGOCLZBFB-IVCQMTBJSA-N

mass

  • 490.511

monoisotopicmass

  • 490.18165

smiles

  • C[C@H](NC(=O)CC1=CC(F)=CC(F)=C1)C(=O)N[C@H]1N=C(C2=CC=CC=C2)C2=CC=CC=C2N(C)C1=O

subset

  • 3_STAR

synonym EXACT

  • N(2)-[(3,5-difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide

synonym RELATED

  • gamma-secretase inhibitor XXI

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101713

Download this concept:

RDF/XML TURTLE JSON-LD