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1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-4-[2-(methylthio)ethyl]-5-oxo-4-oxazolidinyl]methyl]-, 1,1-dimethylethyl ester, (2R-cis)-
SpectraBase Compound ID H5lhxeec0Zx
InChI InChI=1S/C31H38N2O5S/c1-29(2,3)26-33(25(34)21-13-9-8-10-14-21)31(17-18-39-7,27(35)37-26)19-22-20-32(28(36)38-30(4,5)6)24-16-12-11-15-23(22)24/h8-16,20,26H,17-19H2,1-7H3
InChIKey BRLCYUMZWFHVIC-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C31H38N2O5S
Exact Mass 550.250144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLHEEf2clYR
Name 1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-4-[2-(methylthio)ethyl]-5-oxo-4-oxazolidinyl]methyl]-, 1,1-dimethylethyl ester, (2R-cis)-
Alternate Name(s) tert-Butyl 3-((3-benzoyl-2-tert-butyl-4-[2-(methylsulfanyl)ethyl]-5-oxo-1,3-oxazolidin-4-yl)methyl)-1H-indole-1-carboxylate 3-[[3-benzoyl-2-tert-butyl-4-[2-(methylthio)ethyl]-5-oxo-4-oxazolidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester 3-[[3-benzoyl-2-tert-butyl-5-keto-4-[2-(methylthio)ethyl]oxazolidin-4-yl]methyl]indole-1-carboxylic acid tert-butyl ester tert-Butyl 3-[[2-tert-butyl-4-(2-methylsulfanylethyl)-5-oxidanylidene-3-(phenylcarbonyl)-1,3-oxazolidin-4-yl]methyl]indole-1-carboxylate tert-Butyl 3-[[3-benzoyl-2-tert-butyl-4-(2-methylsulfanylethyl)-5-oxo-1,3-oxazolidin-4-yl]methyl]indole-1-carboxylate tert-Butyl 3-[[3-benzoyl-2-tert-butyl-4-(2-methylsulfanylethyl)-5-oxo-oxazolidin-4-yl]methyl]indole-1-carboxylate
CAS Registry Number 116139-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38N2O5S
InChI InChI=1S/C31H38N2O5S/c1-29(2,3)26-33(25(34)21-13-9-8-10-14-21)31(17-18-39-7,27(35)37-26)19-22-20-32(28(36)38-30(4,5)6)24-16-12-11-15-23(22)24/h8-16,20,26H,17-19H2,1-7H3
InChIKey BRLCYUMZWFHVIC-UHFFFAOYSA-N
Molecular Weight 550.714 g/mol
SMILES C(=O)([n]1c2c(c(CC3(N(C(=O)c4ccccc4)C(C(C)(C)C)OC3=O)CCSC)c1)cccc2)OC(C)(C)C
SPLASH splash10-053r-1910000000-aad97785d71e27aa24c5
Wiley ID 1486484