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CHEBI:44093 - 5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid

ChEBI IDCHEBI:44093
ChEBI Name5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid
Stars
ASCII Name5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid
Last Modified3 March 2008
DownloadsMolfile
FormulaC16H18N2O2S
Net Charge0
Average Mass302.399
Monoisotopic Mass302.10890
SMILES[H]OC(=O)c1nc([C@@]2([H])N([H])C([H])([H])c3c([H])c([H])c([H])c([H])c3C2([H])[H])sc1C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C16H18N2O2S/c1-9(2)14-13(16(19)20)18-15(21-14)12-7-10-5-3-4-6-11(10)8-17-12/h3-6,9,12,17H,7-8H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyHCUGCUQZFBURHR-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid (CHEBI:44093) is a 1,3-thiazolemonocarboxylic acid (CHEBI:48652)
5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid (CHEBI:44093) is a isoquinolines (CHEBI:24922)
Synonym  Source
5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acidPDBeChem
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