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(4S)-4-methyl-4-[(4S)-4-methyl-4-[(4R)-4-methyl-4-[5-methyl-4-(methylcarbamoyl)-2-oxazolyl]-5H-thiazol-2-yl]-5H-thiazol-2-yl]-5H-thiazole-2-carboxylic acid methyl ester
SpectraBase Compound ID 4d2WeFIwwFu
InChI InChI=1S/C20H25N5O4S3/c1-10-11(12(26)21-5)22-15(29-10)18(2)7-31-17(24-18)20(4)9-32-16(25-20)19(3)8-30-13(23-19)14(27)28-6/h7-9H2,1-6H3,(H,21,26)/t18-,19-,20-/m0/s1
InChIKey OKDXDAFWUBNTMU-UFYCRDLUSA-N
Mol Weight 495.63 g/mol
Molecular Formula C20H25N5O4S3
Exact Mass 495.106868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrdOpjMwjL7
Name (4S)-4-methyl-4-[(4S)-4-methyl-4-[(4R)-4-methyl-4-[5-methyl-4-(methylcarbamoyl)-2-oxazolyl]-5H-thiazol-2-yl]-5H-thiazol-2-yl]-5H-thiazole-2-carboxylic acid methyl ester
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Formula C20H25N5O4S3
InChI InChI=1S/C20H25N5O4S3/c1-10-11(12(26)21-5)22-15(29-10)18(2)7-31-17(24-18)20(4)9-32-16(25-20)19(3)8-30-13(23-19)14(27)28-6/h7-9H2,1-6H3,(H,21,26)/t18-,19-,20-/m0/s1
InChIKey OKDXDAFWUBNTMU-UFYCRDLUSA-N
Molecular Weight 495.631 g/mol
SMILES N(C(c1nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(C(=O)OC)SC4)C)SC3)C)SC2)C)oc1C)=O)C
SPLASH splash10-06s9-3198400000-31061304d014de85e0bb
Source of Spectrum U1-1999-3389-32
Synonyms (4S)-4-methyl-4-[(4S)-4-methyl-4-[(4R)-4-methyl-4-[5-methyl-4-(methylcarbamoyl)oxazol-2-yl]-2-thiazolin-2-yl]-2-thiazolin-2-yl]-2-thiazoline-2-carboxylic acid methyl ester Methyl (4S)-4-methyl-4-[(4S)-4-methyl-4-[(4R)-4-methyl-4-[5-methyl-4-(methylcarbamoyl)-1,3-oxazol-2-yl]-5H-1,3-thiazol-2-yl]-5H-1,3-thiazol-2-yl]-5H-1,3-thiazole-2-carboxylate Methyl (4S)-4-methyl-4-[(4S)-4-methyl-4-[(4R)-4-methyl-4-[5-methyl-4-(methylcarbamoyl)oxazol-2-yl]-5H-thiazol-2-yl]-5H-thiazol-2-yl]-5H-thiazole-2-carboxylate
Wiley ID 753458