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CHEBI:46256 - 4-methyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}pentanoic acid

ChEBI IDCHEBI:46256
ChEBI Name4-methyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}pentanoic acid
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H26N2O5S2
Net Charge0
Average Mass414.549
Monoisotopic Mass414.12831
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(S(=O)(=O)c2c([H])c([H])c(C([H])([H])[H])c([H])c2[H])C([H])([H])C([H])([H])SC1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C18H26N2O5S2/c1-12(2)10-15(18(22)23)19-17(21)16-11-26-9-8-20(16)27(24,25)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1
InChIKeyGFEHACHKMVZGNQ-HOTGVXAUSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}pentanoic acid (CHEBI:46256) is a L-leucine derivative (CHEBI:25018)
4-methyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}pentanoic acid (CHEBI:46256) is a sulfonamide (CHEBI:35358)
4-methyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}pentanoic acid (CHEBI:46256) is a thiomorpholines (CHEBI:36393)
Synonyms  Source
4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACIDPDBeChem
N-({(3R)-4-[(4-methylphenyl)sulfonyl]thiomorpholin-3-yl}carbonyl)-L-leucinePDBeChem
Manual XrefsDatabases
TSTPDBeChem