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3-{N-[4-(4-(Benzoylamino)-5-[(2-hydrazino-2-oxoethyl)-sulfanyl]-4H-1,2,4-triazol-3-ylmethyl)-1,3-thiazol-2-yl]amino}-propanoic acid
SpectraBase Compound ID HgZe1NMVzGa
InChI InChI=1S/C18H20N8O4S2/c19-22-14(27)10-32-18-24-23-13(26(18)25-16(30)11-4-2-1-3-5-11)8-12-9-31-17(21-12)20-7-6-15(28)29/h1-5,9H,6-8,10,19H2,(H,20,21)(H,22,27)(H,25,30)(H,28,29)
InChIKey HZGBRSQWJMBAES-UHFFFAOYSA-N
Mol Weight 476.53 g/mol
Molecular Formula C18H20N8O4S2
Exact Mass 476.104893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExURwP0Su51
Name 3-{N-[4-(4-(Benzoylamino)-5-[(2-hydrazino-2-oxoethyl)-sulfanyl]-4H-1,2,4-triazol-3-ylmethyl)-1,3-thiazol-2-yl]amino}-propanoic acid
Alternate Name(s) 3-((4-((4-benzamido-5-((2-hydrazinyl-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-yl)amino)propanoic acid 3-[[4-[[4-benzamido-5-[(2-hydrazinyl-2-oxoethyl)thio]-1,2,4-triazol-3-yl]methyl]-2-thiazolyl]amino]propanoic acid 3-[[4-[[4-benzamido-5-(2-hydrazinyl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid 3-[[4-[[4-benzamido-5-(2-hydrazino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]thiazol-2-yl]amino]propanoic acid 3-[[4-[[4-benzamido-5-(2-diazanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid
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Formula C18H20N8O4S2
InChI InChI=1S/C18H20N8O4S2/c19-22-14(27)10-32-18-24-23-13(26(18)25-16(30)11-4-2-1-3-5-11)8-12-9-31-17(21-12)20-7-6-15(28)29/h1-5,9H,6-8,10,19H2,(H,20,21)(H,22,27)(H,25,30)(H,28,29)
InChIKey HZGBRSQWJMBAES-UHFFFAOYSA-N
Molecular Weight 476.530 g/mol
SMILES N(C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NCCC(=O)O)sc1)=O)N
SPLASH splash10-05ot-0895800000-39bc1d724d131ac67ec8
Source of Spectrum EMC-42-812-6d
Wiley ID 1735096