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CHEBI:47500 - methyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate

ChEBI IDCHEBI:47500
ChEBI Namemethyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate
Stars
ASCII Namemethyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate
Last Modified7 January 2016
DownloadsMolfile
FormulaC31H34ClN3O10S2
Net Charge0
Average Mass708.211
Monoisotopic Mass707.13741
SMILES[H]Oc1c([H])c([H])c([H])c(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])S(=O)(=O)c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])c2c([H])c([H])c([C@]3([H])C([H])([H])C(=O)N([H])S3(=O)=O)c(Cl)c2[H])c1C(=O)OC([H])([H])[H]
InChIInChI=1S/C31H34ClN3O10S2/c1-44-31(39)29-25(36)11-8-12-26(29)45-16-7-3-6-15-33-30(38)24(34-46(40,41)21-9-4-2-5-10-21)18-20-13-14-22(23(32)17-20)27-19-28(37)35-47(27,42)43/h2,4-5,8-14,17,24,27,34,36H,3,6-7,15-16,18-19H2,1H3,(H,33,38)(H,35,37)/t24-,27-/m0/s1
InChIKeyLZJDVHWALQMKBR-IGKIAQTJSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate (CHEBI:47500) is a N-sulfonylcarboxamide (CHEBI:90852)
methyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate (CHEBI:47500) is a benzoate ester (CHEBI:36054)
methyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate (CHEBI:47500) is a monochlorobenzenes (CHEBI:83403)
methyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate (CHEBI:47500) is a thiazolidinone (CHEBI:48891)
Synonym  Source
methyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoatePDBeChem
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