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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 > n-acylpyrrolidine > (1s)-2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine

Preferred term

(1s)-2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine  

Type

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

Broader concept

charge

  • 0

formula

  • C14H23N3O

inchi

  • InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1

inchikey

  • XYVMJMYCUZCIPB-AVGNSLFASA-N

mass

  • 249.35204

monoisotopicmass

  • 249.18411

smiles

  • NC[C@@H]1CC[C@H](C#C)N1C(=O)[C@@H](N)C1CCCC1

subset

  • 3_STAR

synonym EXACT

  • (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE
  • (1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:40697

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