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2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
SpectraBase Compound ID Coj8sqj61Mi
InChI InChI=1S/C15H18N4O3S3/c1-22-13(21)11(8-23-7-10-5-3-2-4-6-10)17-12(20)9-24-15-19-18-14(16)25-15/h2-6,11H,7-9H2,1H3,(H2,16,18)(H,17,20)
InChIKey HRNSWAOOQKDRIY-UHFFFAOYSA-N
Mol Weight 398.51 g/mol
Molecular Formula C15H18N4O3S3
Exact Mass 398.054104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EK8M7tB7gj
Name 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
Alternate Name(s) 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-3-(benzylthio)propionic acid methyl ester Methyl 2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Methyl 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-benzylsulfanyl-propanoate Propionic acid, 2-[2-(5-amino-[1,3,4]thiadiazol-2-ylsulfanyl)acetylamino]-3-benzylsulfanyl-, methyl ester
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Formula C15H18N4O3S3
InChI InChI=1S/C15H18N4O3S3/c1-22-13(21)11(8-23-7-10-5-3-2-4-6-10)17-12(20)9-24-15-19-18-14(16)25-15/h2-6,11H,7-9H2,1H3,(H2,16,18)(H,17,20)
InChIKey HRNSWAOOQKDRIY-UHFFFAOYSA-N
Molecular Weight 398.514 g/mol
SMILES N(C(CSc1nnc(s1)N)=O)C(CSCc1ccccc1)C(OC)=O
SPLASH splash10-0006-9300000000-e6aa22b2177e385bd609
Wiley ID 1447450