EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233612 - (2R,3R)-NLD

ChEBI IDCHEBI:233612
ChEBI Name(2R,3R)-NLD
Stars
ASCII Name(2R,3R)-NLD
DefinitionA [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate that has (2R,3R)-configuration.
Last Modified4 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC17H25N3O3
Net Charge0
Average Mass319.405
Monoisotopic Mass319.18959
SMILES[H][C@]1(c2cccnc2)[C@H](COC(=O)CCC(=O)NCC)CCN1C
InChIInChI=1S/C17H25N3O3/c1-3-19-15(21)6-7-16(22)23-12-14-8-10-20(2)17(14)13-5-4-9-18-11-13/h4-5,9,11,14,17H,3,6-8,10,12H2,1-2H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyWOXOYXFKTXCZIL-YOEHRIQHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-NLD (CHEBI:233612) is a [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate (CHEBI:233616)
(2R,3R)-NLD (CHEBI:233612) is enantiomer of (2S,3S)-NLD (CHEBI:233613)
Incoming Relation(s)
NLD (CHEBI:233614) has part (2R,3R)-NLD (CHEBI:233612)
(2S,3S)-NLD (CHEBI:233613) is enantiomer of (2R,3R)-NLD (CHEBI:233612)
IUPAC Name 
[(2R,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate
Synonyms  Source
(7R,11R)-NLDChEBI
[(2R,3R)-1-methyl-2-pyridin-3-yl-pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxidanylidene-butanoateChEBI
Manual XrefsDatabases
NLDPDBeChem
Citations