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Benzyloxime - derivative of thiangazole
SpectraBase Compound ID 3VZq2AqwO6H
InChI InChI=1S/C26H30N6O3S3/c1-16-19(20(33)27-5)29-21(35-16)24(2)13-37-23(31-24)26(4)15-38-22(32-26)25(3)14-36-18(30-25)11-28-34-12-17-9-7-6-8-10-17/h6-11H,12-15H2,1-5H3,(H,27,33)/b28-11+/t24-,25-,26-/m0/s1
InChIKey XJPLWUJQURUJBW-AYLRJWNESA-N
Mol Weight 570.75 g/mol
Molecular Formula C26H30N6O3S3
Exact Mass 570.154152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26LoCu3Ipyo
Name Benzyloxime - derivative of thiangazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N6O3S3
InChI InChI=1S/C26H30N6O3S3/c1-16-19(20(33)27-5)29-21(35-16)24(2)13-37-23(31-24)26(4)15-38-22(32-26)25(3)14-36-18(30-25)11-28-34-12-17-9-7-6-8-10-17/h6-11H,12-15H2,1-5H3,(H,27,33)/b28-11+/t24-,25-,26-/m0/s1
InChIKey XJPLWUJQURUJBW-AYLRJWNESA-N
Molecular Weight 570.745 g/mol
SMILES N(C(c1nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=N\OCc5ccccc5)SC4)C)SC3)C)SC2)C)oc1C)=O)C
SPLASH splash10-0bti-9076410000-9278611d40f1289baf1f
Source of Spectrum U1-1999-3389-39
Synonyms 2-[(4R)-2-[(4S)-2-[(4S)-2-[(1E)-[(benzyloxy)imino]methyl]-4-methyl-4,5-dihydro-1,3-thiazol-4-yl]-4-methyl-4,5-dihydro-1,3-thiazol-4-yl]-4-methyl-4,5-dihydro-1,3-thiazol-4-yl]-N,5-dimethyl-1,3-oxazole-4-carboxamide N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-phenylmethoxyiminomethyl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-4-oxazolecarboxamide 2-[(4R)-2-[(4S)-2-[(4S)-2-[(E)-benzyloxyiminomethyl]-4-methyl-5H-thiazol-4-yl]-4-methyl-5H-thiazol-4-yl]-4-methyl-5H-thiazol-4-yl]-N,5-dimethyl-oxazole-4-carboxamide N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-phenylmethoxyiminomethyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide
Wiley ID 753453