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CHEBI:45654 - ethyl 3-phenyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}propionate

ChEBI IDCHEBI:45654
ChEBI Nameethyl 3-phenyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}propionate
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Last Modified7 March 2018
DownloadsMolfile
FormulaC23H28N2O5S2
Net Charge0
Average Mass476.620
Monoisotopic Mass476.14396
SMILES[H]c1c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)OC([H])([H])C([H])([H])[H])N([H])C(=O)[C@@]2([H])N(S(=O)(=O)c3c([H])c([H])c(C([H])([H])[H])c([H])c3[H])C([H])([H])C([H])([H])SC2([H])[H])c([H])c1[H]
InChIInChI=1S/C23H28N2O5S2/c1-3-30-23(27)20(15-18-7-5-4-6-8-18)24-22(26)21-16-31-14-13-25(21)32(28,29)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)/t20-,21-/m0/s1
InChIKeyNDDSSAGSYFVBTG-SFTDATJTSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 3-phenyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}propionate (CHEBI:45654) is a ethyl ester (CHEBI:23990)
ethyl 3-phenyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}propionate (CHEBI:45654) is a primary carboxamide (CHEBI:140324)
ethyl 3-phenyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}propionate (CHEBI:45654) is a sulfonamide (CHEBI:35358)
ethyl 3-phenyl-2-{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino}propionate (CHEBI:45654) is a thiomorpholines (CHEBI:36393)
Synonyms  Source
3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTERPDBeChem
ethyl N-({(3R)-4-[(4-methylphenyl)sulfonyl]thiomorpholin-3-yl}carbonyl)-L-phenylalaninatePDBeChem
Manual XrefsDatabases
SUBPDBeChem