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N-(Hydroxyethyl)carboxamide - derivative of thiangazole
SpectraBase Compound ID 4inlztsr9SZ
InChI InChI=1S/C27H31N5O3S3/c1-17-20(21(34)28-12-13-33)29-22(35-17)25(2)14-37-24(31-25)27(4)16-38-23(32-27)26(3)15-36-19(30-26)11-10-18-8-6-5-7-9-18/h5-11,33H,12-16H2,1-4H3,(H,28,34)/b11-10+/t25-,26-,27-/m0/s1
InChIKey BKGVQUMVWGIBSI-QXPUPOSRSA-N
Mol Weight 569.76 g/mol
Molecular Formula C27H31N5O3S3
Exact Mass 569.158903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJPWvCkvulA
Name N-(Hydroxyethyl)carboxamide - derivative of thiangazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N5O3S3
InChI InChI=1S/C27H31N5O3S3/c1-17-20(21(34)28-12-13-33)29-22(35-17)25(2)14-37-24(31-25)27(4)16-38-23(32-27)26(3)15-36-19(30-26)11-10-18-8-6-5-7-9-18/h5-11,33H,12-16H2,1-4H3,(H,28,34)/b11-10+/t25-,26-,27-/m0/s1
InChIKey BKGVQUMVWGIBSI-QXPUPOSRSA-N
Molecular Weight 569.757 g/mol
SMILES N(C(c1nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=C\c5ccccc5)SC4)C)SC3)C)SC2)C)oc1C)=O)CCO
SPLASH splash10-0w93-1494010000-38e8f7eee03a2b89e13f
Source of Spectrum U1-1999-3387-11
Synonyms N-(2-hydroxyethyl)-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide N-(2-hydroxyethyl)-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-4-oxazolecarboxamide N-(2-hydroxyethyl)-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-styryl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]oxazole-4-carboxamide N-(2-hydroxyethyl)-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-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 753473