EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120676 - (2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester

ChEBI IDCHEBI:120676
ChEBI Name(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester
Stars
DownloadsMolfile
FormulaC18H26N2O3
Net Charge0
Average Mass318.417
Monoisotopic Mass318.19434
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H26N2O3/c1-12(2)11-16(17(21)23-3)20-18(22)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H2,19,20,22)/t15?,16-/m0/s1
InChIKeyUWYYJGGQSCUZOH-LYKKTTPLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester (CHEBI:120676) is a leucine derivative (CHEBI:47003)
Manual XrefsDatabases
LSM-32118LINCS