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CHEBI:40171 - (2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid

Default Structure
ChEBI IDCHEBI:40171
ChEBI Name(2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
Stars
ASCII Name(2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
Last Modified17 October 2009
DownloadsMolfile
FormulaC24H30N2O5S
Net Charge0
Average Mass458.580
Monoisotopic Mass458.18754
SMILES[H]OC(=O)[C@@]1(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N(C(=O)c2c([H])c([H])c(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c([H])c2[H])[C@@]([H])(c2nc([H])c([H])s2)[C@@]([H])(C(=O)O[H])C1([H])[H]
InChIInChI=1S/C24H30N2O5S/c1-14(2)12-24(22(30)31)13-17(21(28)29)18(19-25-10-11-32-19)26(24)20(27)15-6-8-16(9-7-15)23(3,4)5/h6-11,14,17-18H,12-13H2,1-5H3,(H,28,29)(H,30,31)/t17-,18+,24-/m0/s1
InChIKeySWYJAQWTBADJTB-RHGYRFJNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid (CHEBI:40171) is a N-acylpyrrolidine (CHEBI:46766)
(2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid (CHEBI:40171) is a 1,3-thiazoles (CHEBI:38418)
(2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid (CHEBI:40171) is a dicarboxylic acid (CHEBI:35692)
(2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid (CHEBI:40171) is a pyrrolidinedicarboxylic acid (CHEBI:46794)
Synonyms  Source
(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACIDPDBeChem
(2S,4S,5R)-1-[(4-tert-butylphenyl)carbonyl]-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acidPDBeChem
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