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CHEBI:39493 - 4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid

Default Structure
ChEBI IDCHEBI:39493
ChEBI Name4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid
Stars
ASCII Name4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid
Last Modified17 March 2008
DownloadsMolfile
FormulaC37H46N2O4S
Net Charge0
Average Mass614.852
Monoisotopic Mass614.31783
SMILES[H]OC(=O)c1c([H])c([H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2C(=O)[C@]([H])(C([H])([H])C(=O)N(C([H])([H])c3c([H])c([H])c([H])c([H])c3[H])C([H])([H])c3c([H])c([H])c([H])c([H])c3[H])S[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C37H46N2O4S/c1-2-3-4-5-12-20-35-39(25-14-13-15-29-21-23-32(24-22-29)37(42)43)36(41)33(44-35)26-34(40)38(27-30-16-8-6-9-17-30)28-31-18-10-7-11-19-31/h6-11,16-19,21-24,33,35H,2-5,12-15,20,25-28H2,1H3,(H,42,43)/t33-,35-/m0/s1
InChIKeyGHJJBEKMPCOSRH-LRHLLKFHSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid (CHEBI:39493) has functional parent benzoic acid (CHEBI:30746)
4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid (CHEBI:39493) is a monocarboxylic acid amide (CHEBI:29347)
4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid (CHEBI:39493) is a thiazolidinone (CHEBI:48891)
Synonyms  Source
(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINEPDBeChem
4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acidPDBeChem
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072PDBeChem