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(4S,4'S)-4-(1-Methoxycarbonyl-1-methylethyl)-3-(4'-benzyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester

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(4S,4'S)-4-(1-Methoxycarbonyl-1-methylethyl)-3-(4'-benzyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester
SpectraBase Compound ID HS0LkkjPY5z
InChI InChI=1S/C23H26N2O5S2/c1-23(2,20(27)29-3)18-10-11-24(21(28)30-4)13-17(18)19(26)25-16(14-32-22(25)31)12-15-8-6-5-7-9-15/h5-11,13,16,18H,12,14H2,1-4H3/t16?,18-/m0/s1
InChIKey HPLNFXUJQNDDCP-DAFXYXGESA-N
Mol Weight 474.59 g/mol
Molecular Formula C23H26N2O5S2
Exact Mass 474.128314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TVRIxJcUC
Name (4S,4'S)-4-(1-Methoxycarbonyl-1-methylethyl)-3-(4'-benzyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O5S2
InChI InChI=1S/C23H26N2O5S2/c1-23(2,20(27)29-3)18-10-11-24(21(28)30-4)13-17(18)19(26)25-16(14-32-22(25)31)12-15-8-6-5-7-9-15/h5-11,13,16,18H,12,14H2,1-4H3/t16?,18-/m0/s1
InChIKey HPLNFXUJQNDDCP-DAFXYXGESA-N
Molecular Weight 474.590 g/mol
SMILES C1(C(N2C(SCC2Cc2ccccc2)=S)=O)=CN(C(=O)OC)C=C[C@@]1(C(C(=O)OC)(C)C)[H]
SPLASH splash10-05fr-0809000000-e2d69c19bb461275d7aa
Source of Spectrum KC-57-8945-8
Synonyms Methyl (4S)-3-[(4-benzyl-2-thioxo-1,3-thiazolidin-3-yl)carbonyl]-4-(2-methoxy-1,1-dimethyl-2-oxoethyl)-1(4H)-pyridinecarboxylate
Wiley ID 1626213