3-{N-[4-(4-(Benzoylamino)-5-[(2-methoxy-2-oxoethyl)-sulfanyl]-4H-1,2,4-triazol-3-ylmethyl)-1,3-thiazol-2-yl]amino}-propanoic acid

SpectraBase Compound ID	JoNwDGqbu39
InChI	InChI=1S/C19H20N6O5S2/c1-30-16(28)11-32-19-23-22-14(25(19)24-17(29)12-5-3-2-4-6-12)9-13-10-31-18(21-13)20-8-7-15(26)27/h2-6,10H,7-9,11H2,1H3,(H,20,21)(H,24,29)(H,26,27)
InChIKey	NEIJRIAWODLSCP-UHFFFAOYSA-N Google Search
Mol Weight	476.53 g/mol
Molecular Formula	C19H20N6O5S2
Exact Mass	476.09366 g/mol

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SpectraBase Spectrum ID	2YZmab055cm
Name	3-{N-[4-(4-(Benzoylamino)-5-[(2-methoxy-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	C19H20N6O5S2
InChI	InChI=1S/C19H20N6O5S2/c1-30-16(28)11-32-19-23-22-14(25(19)24-17(29)12-5-3-2-4-6-12)9-13-10-31-18(21-13)20-8-7-15(26)27/h2-6,10H,7-9,11H2,1H3,(H,20,21)(H,24,29)(H,26,27)
InChIKey	NEIJRIAWODLSCP-UHFFFAOYSA-N
Molecular Weight	476.526 g/mol
SMILES	N(c1nc(Cc2[n](c(nn2)SCC(=O)OC)NC(=O)c2ccccc2)cs1)CCC(=O)O
SPLASH	splash10-00b9-9636800000-7940020c2363bb03b705
Source of Spectrum	EMC-42-812-5d
Synonyms	3-((4-((4-benzamido-5-((2-methoxy-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-yl)amino)propanoic acid 3-[[4-[[4-benzamido-5-[(2-methoxy-2-oxoethyl)thio]-1,2,4-triazol-3-yl]methyl]-2-thiazolyl]amino]propanoic acid 3-[[4-[[4-benzamido-5-(2-methoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid 3-[[4-[[4-benzamido-5-(2-methoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]thiazol-2-yl]amino]propanoic acid 3-[[4-[[4-benzamido-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid
Wiley ID	1735092