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2-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
SpectraBase Compound ID CXiuyV3qJNv
InChI InChI=1S/C16H19N3O3S4/c1-22-14(21)12(9-24-8-11-6-4-3-5-7-11)17-13(20)10-25-16-18-15(23-2)19-26-16/h3-7,12H,8-10H2,1-2H3,(H,17,20)
InChIKey VJADKVKHDCSAMN-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C16H19N3O3S4
Exact Mass 429.030926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGAQKOzXHax
Name 2-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
Alternate Name(s) 3-(benzylthio)-2-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetyl]amino]propionic acid methyl ester Methyl 2-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Methyl 3-benzylsulfanyl-2-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]propanoate
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Formula C16H19N3O3S4
InChI InChI=1S/C16H19N3O3S4/c1-22-14(21)12(9-24-8-11-6-4-3-5-7-11)17-13(20)10-25-16-18-15(23-2)19-26-16/h3-7,12H,8-10H2,1-2H3,(H,17,20)
InChIKey VJADKVKHDCSAMN-UHFFFAOYSA-N
Molecular Weight 429.586 g/mol
SMILES N(C(CSc1nc(ns1)SC)=O)C(CSCc1ccccc1)C(OC)=O
SPLASH splash10-0006-9200000000-a71102744bb12daadd66
Wiley ID 1512254