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CHEBI:233671 - N-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide

ChEBI IDCHEBI:233671
ChEBI NameN-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide
Stars
ASCII NameN-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of lysine with the primary amino group of N-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine. It is a hapten used in the development of an anti-methamphetamine vaccine.
Last Modified13 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC17H30N4O
Net Charge0
Average Mass306.454
Monoisotopic Mass306.24196
SMILESC[C@H](Cc1ccccc1)NCCNC(=O)C(N)CCCCN
InChIInChI=1S/C17H30N4O/c1-14(13-15-7-3-2-4-8-15)20-11-12-21-17(22)16(19)9-5-6-10-18/h2-4,7-8,14,16,20H,5-6,9-13,18-19H2,1H3,(H,21,22)/t14-,16?/m1/s1
InChIKeyRVYKQWQULLJTBL-IURRXHLWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
N-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide (CHEBI:233671) has role hapten (CHEBI:59174)
N-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide (CHEBI:233671) is a benzenes (CHEBI:22712)
N-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide (CHEBI:233671) is a primary amino compound (CHEBI:50994)
N-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide (CHEBI:233671) is a secondary amino compound (CHEBI:50995)
N-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide (CHEBI:233671) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)lysinamide
Synonyms  Source
2,6-diamino-N-(2-{[(2R)-1-phenylpropan-2-yl]amino}ethyl)hexanamideIUPAC
2,6-diamino-N-(2-(((R)-1-phenylpropan-2-yl)amino)ethyl)hexanamideChEBI
Citations