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(2S)-4-[[1-(4-methylphenyl)sulfonyl-3-indolyl]methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
SpectraBase Compound ID G9FoRHuYA5z
InChI InChI=1S/C27H30N2O7S/c1-17-10-12-20(13-11-17)37(33,34)28-16-19(21-8-6-7-9-22(21)28)14-18-15-23(25(31)35-5)29(24(18)30)26(32)36-27(2,3)4/h6-13,16,18,23H,14-15H2,1-5H3/t18?,23-/m0/s1
InChIKey KTHBRYMENLMJGV-IMMUGOHXSA-N
Mol Weight 526.6 g/mol
Molecular Formula C27H30N2O7S
Exact Mass 526.177372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vDt3Pa2AHx
Name (2S)-4-[[1-(4-methylphenyl)sulfonyl-3-indolyl]methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O7S
InChI InChI=1S/C27H30N2O7S/c1-17-10-12-20(13-11-17)37(33,34)28-16-19(21-8-6-7-9-22(21)28)14-18-15-23(25(31)35-5)29(24(18)30)26(32)36-27(2,3)4/h6-13,16,18,23H,14-15H2,1-5H3/t18?,23-/m0/s1
InChIKey KTHBRYMENLMJGV-IMMUGOHXSA-N
Molecular Weight 526.604 g/mol
SMILES C(N1C(C(Cc2c[n](S(c3ccc(cc3)C)(=O)=O)c3c2cccc3)C[C@]1(C(=O)OC)[H])=O)(OC(C)(C)C)=O
SPLASH splash10-05cu-5590310000-58c963f55472d9be1de9
Source of Spectrum H-2005-2524-14
Synonyms (2S)-5-keto-4-[(1-tosylindol-3-yl)methyl]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester 1-O-tert-butyl 2-O-methyl (2S)-4-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-5-oxopyrrolidine-1,2-dicarboxylate O1-tert-butyl O2-methyl (2S)-4-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-5-oxidanylidene-pyrrolidine-1,2-dicarboxylate O1-tert-butyl O2-methyl (2S)-5-oxo-4-[[1-(p-tolylsulfonyl)indol-3-yl]methyl]pyrrolidine-1,2-dicarboxylate
Wiley ID 1562906