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 Google Search
Mol Weight	476.53 g/mol
Molecular Formula	C18H20N8O4S2
Exact Mass	476.104893 g/mol

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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
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms	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
Wiley ID	1735096