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3-[(5S)-5-Acetamido-5-carboxypentyl)-5-(2-acetoxyethyl)-4-methylthiazole-2(3H)-thione
SpectraBase Compound ID ITQQzfBHF2u
InChI InChI=1S/C16H24N2O5S2/c1-10-14(7-9-23-12(3)20)25-16(24)18(10)8-5-4-6-13(15(21)22)17-11(2)19/h13H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t13-/m0/s1
InChIKey NODLRWNADJGLQX-ZDUSSCGKSA-N
Mol Weight 388.5 g/mol
Molecular Formula C16H24N2O5S2
Exact Mass 388.112664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKaKfCOTyBh
Name 3-[(5S)-5-Acetamido-5-carboxypentyl)-5-(2-acetoxyethyl)-4-methylthiazole-2(3H)-thione
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Formula C16H24N2O5S2
InChI InChI=1S/C16H24N2O5S2/c1-10-14(7-9-23-12(3)20)25-16(24)18(10)8-5-4-6-13(15(21)22)17-11(2)19/h13H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t13-/m0/s1
InChIKey NODLRWNADJGLQX-ZDUSSCGKSA-N
Molecular Weight 388.497 g/mol
SMILES OC([C@@](NC(=O)C)(CCCCN1C(SC(CCOC(=O)C)=C1C)=S)[H])=O
SPLASH splash10-004i-9001000000-591b30b5c019c43d118c
Source of Spectrum KC-0-870-34b
Synonyms (2S)-2-acetamido-6-[5-(2-acetyloxyethyl)-4-methyl-2-sulfanylidene-3-thiazolyl]hexanoic acid (2S)-2-acetamido-6-[5-(2-acetoxyethyl)-4-methyl-2-thioxo-thiazol-3-yl]hexanoic acid (2S)-2-acetamido-6-[5-(2-acetyloxyethyl)-4-methyl-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
Wiley ID 783355