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 > organonitrogen heterocyclic compound > piperidines > piperidinecarboxamide > l-779976
organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > piperidinecarboxamide > l-779976
organic heterocyclic compound > organic heteromonocyclic compound > piperidines > piperidinecarboxamide > l-779976
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > piperidinecarboxamide > l-779976
organooxygen compound > carboxamide > monocarboxylic acid amide > piperidinecarboxamide > l-779976
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > piperidinecarboxamide > l-779976
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > l-779976
organooxygen compound > carboxamide > secondary carboxamide > l-779976
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > l-779976
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > l-779976
organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > l-779976
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > l-779976
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzimidazoles > l-779976
organic heterocyclic compound > organonitrogen heterocyclic compound > benzimidazoles > l-779976
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzimidazoles > l-779976
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > primary amino compound > l-779976
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > primary amino compound > l-779976

Preferred term

l-779976  

Type

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

Broader concept

charge

  • 0

formula

  • C33H43N7O3

has_role

inchi

  • InChI=1S/C33H43N7O3/c1-21(26-20-35-27-10-3-2-9-25(26)27)30(31(41)36-19-23-8-6-7-22(17-23)18-34)38-32(42)39-15-13-24(14-16-39)40-29-12-5-4-11-28(29)37-33(40)43/h2-5,9-12,20-24,30,35H,6-8,13-19,34H2,1H3,(H,36,41)(H,37,43)(H,38,42)/t21-,22-,23+,30+/m0/s1

inchikey

  • DDVPVAOEMZRZQU-CXDLDTBJSA-N

mass

  • 585.753

monoisotopicmass

  • 585.34274

smiles

  • C[C@H]([C@@H](NC(=O)N1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C(=O)NC[C@@H]1CCC[C@H](CN)C1)C1=CNC2=C1C=CC=C2

subset

  • 3_STAR

synonym EXACT

  • (betaS)-N-{[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}-beta-methyl-Nalpha-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]carbonyl}-D-tryptophanamide

synonym RELATED

  • L 779,976
  • L 779976
  • L-779,976
  • L779976
  • N-[(2R,3S)-1-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine-1-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176977

Download this concept:

RDF/XML TURTLE JSON-LD