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3-{N-[4-(4-(Benzoylamino)-5-[(2-oxo-2-2-[(Z)-1-phenylmethylidene]hydrazinoethyl)sulfanyl]-4H-1,2,4-triazol-3-ylmethyl)-1,3-thiazol-2-yl]amino}propanoic acid
SpectraBase Compound ID 2mOEm949mDN
InChI InChI=1S/C25H24N8O4S2/c34-21(30-27-14-17-7-3-1-4-8-17)16-39-25-31-29-20(33(25)32-23(37)18-9-5-2-6-10-18)13-19-15-38-24(28-19)26-12-11-22(35)36/h1-10,14-15H,11-13,16H2,(H,26,28)(H,30,34)(H,32,37)(H,35,36)/b27-14-
InChIKey GGRHZNARBZKGTM-VYYCAZPPSA-N
Mol Weight 564.64 g/mol
Molecular Formula C25H24N8O4S2
Exact Mass 564.136194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkVS1FneRXy
Name 3-{N-[4-(4-(Benzoylamino)-5-[(2-oxo-2-2-[(Z)-1-phenylmethylidene]hydrazinoethyl)sulfanyl]-4H-1,2,4-triazol-3-ylmethyl)-1,3-thiazol-2-yl]amino}propanoic acid
Alternate Name(s) (Z)-3-((4-((4-benzamido-5-((2-(2-benzylidenehydrazinyl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-yl)amino)propanoic acid 3-[[4-[[4-benzamido-5-[[2-oxo-2-[(2Z)-2-(phenylmethylene)hydrazinyl]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-thiazolyl]amino]propanoic acid 3-[[4-[[4-benzamido-5-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid 3-[[4-[[4-benzamido-5-[2-[(2Z)-2-benzylidenehydrazino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiazol-2-yl]amino]propanoic acid 3-[[4-[[4-benzamido-5-[2-oxidanylidene-2-[(2Z)-2-(phenylmethylidene)hydrazinyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid
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Formula C25H24N8O4S2
InChI InChI=1S/C25H24N8O4S2/c34-21(30-27-14-17-7-3-1-4-8-17)16-39-25-31-29-20(33(25)32-23(37)18-9-5-2-6-10-18)13-19-15-38-24(28-19)26-12-11-22(35)36/h1-10,14-15H,11-13,16H2,(H,26,28)(H,30,34)(H,32,37)(H,35,36)/b27-14-
InChIKey GGRHZNARBZKGTM-VYYCAZPPSA-N
Molecular Weight 564.639 g/mol
SMILES N(\N=C/c1ccccc1)C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NCCC(=O)O)sc1)=O
SPLASH splash10-01ot-2935360000-9a45a19d1894e7754126
Source of Spectrum EMC-42-814-8d
Wiley ID 1735102