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(2S)-2-acetamido-6-[5-(2-hydroxyethyl)-4-methyl-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
SpectraBase Compound ID 88oyAk7qxxw
InChI InChI=1S/C14H22N2O4S2/c1-9-12(6-8-17)22-14(21)16(9)7-4-3-5-11(13(19)20)15-10(2)18/h11,17H,3-8H2,1-2H3,(H,15,18)(H,19,20)/t11-/m0/s1
InChIKey DKXKPKKLPBITGV-NSHDSACASA-N
Mol Weight 346.46 g/mol
Molecular Formula C14H22N2O4S2
Exact Mass 346.1021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JnbMo0f13g
Name (2S)-2-acetamido-6-[5-(2-hydroxyethyl)-4-methyl-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
Alternate Name(s) (2S)-2-acetamido-6-[5-(2-hydroxyethyl)-4-methyl-2-sulfanylidene-3-thiazolyl]hexanoic acid (2S)-2-acetamido-6-[5-(2-hydroxyethyl)-4-methyl-2-thioxo-4-thiazolin-3-yl]hexanoic acid (2S)-2-acetamido-6-[5-(2-hydroxyethyl)-4-methyl-2-thioxo-thiazol-3-yl]hexanoic acid
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Formula C14H22N2O4S2
InChI InChI=1S/C14H22N2O4S2/c1-9-12(6-8-17)22-14(21)16(9)7-4-3-5-11(13(19)20)15-10(2)18/h11,17H,3-8H2,1-2H3,(H,15,18)(H,19,20)/t11-/m0/s1
InChIKey DKXKPKKLPBITGV-NSHDSACASA-N
Molecular Weight 346.460 g/mol
SMILES OCCC=1SC(N(CCCC[C@@](C(=O)O)(NC(=O)C)[H])C1C)=S
SPLASH splash10-056r-9700000000-4ac2e9eb570c6808060e
Source of Spectrum KC-0-870-33
Wiley ID 783354