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N-Tosyl-L-.beta.-homothionine methyl ester
SpectraBase Compound ID CsgOb1PxcBp
InChI InChI=1S/C14H21NO4S2/c1-11-4-6-13(7-5-11)21(17,18)15-12(8-9-20-3)10-14(16)19-2/h4-7,12,15H,8-10H2,1-3H3/t12-/m0/s1
InChIKey MFSBCMDJECGVSS-LBPRGKRZSA-N
Mol Weight 331.45 g/mol
Molecular Formula C14H21NO4S2
Exact Mass 331.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zRRVSecvTe
Name N-Tosyl-L-.beta.-homothionine methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO4S2
InChI InChI=1S/C14H21NO4S2/c1-11-4-6-13(7-5-11)21(17,18)15-12(8-9-20-3)10-14(16)19-2/h4-7,12,15H,8-10H2,1-3H3/t12-/m0/s1
InChIKey MFSBCMDJECGVSS-LBPRGKRZSA-N
Molecular Weight 331.445 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@](CC(=O)OC)(CCSC)[H]
SPLASH splash10-004l-3900000000-f2ca57af9639922949c9
Source of Spectrum KC-0-1922-7
Synonyms Methyl (3R)-3-{[(4-methylphenyl)sulfonyl]amino}-5-(methylsulfanyl)pentanoate (3R)-3-[(4-methylphenyl)sulfonylamino]-5-(methylthio)pentanoic acid methyl ester Methyl (3R)-3-[(4-methylphenyl)sulfonylamino]-5-methylsulfanylpentanoate Methyl (3R)-5-methylsulfanyl-3-(p-tolylsulfonylamino)pentanoate Methyl (3R)-3-[(4-methylphenyl)sulfonylamino]-5-methylsulfanyl-pentanoate
Wiley ID 825671