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CHEBI:39553 - 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID

Default Structure
ChEBI IDCHEBI:39553
ChEBI Name3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H24N2O8S5
Net Charge0
Average Mass580.753
Monoisotopic Mass580.01362
SMILES[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)C([H])([H])[H])N([H])S(=O)(=O)c1c([H])c([H])c([H])c(C([H])([H])SSC([H])([H])C([H])([H])N([H])C(=O)c2sc(S(=O)(=O)C([H])([H])[H])c([H])c2[H])c1[H]
InChIInChI=1S/C20H24N2O8S5/c1-13(23)16(11-18(24)25)22-35(29,30)15-5-3-4-14(10-15)12-32-31-9-8-21-20(26)17-6-7-19(33-17)34(2,27)28/h3-7,10,16,22H,8-9,11-12H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1
InChIKeyVIJJMTFSKSTKFB-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID (CHEBI:39553) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACIDPDBeChem
(3S)-3-({[3-({[2-({[5-(methylsulfonyl)thiophen-2-yl]carbonyl}amino)ethyl]disulfanyl}methyl)phenyl]sulfonyl}amino)-4-oxopentanoic acidPDBeChem
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