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(2R,4S)-2-[[(3S)-4,4-bis(chloranyl)-3-methyl-butanoyl]-methyl-amino]-5,5,5-tris(chloranyl)-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide

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(2R,4S)-2-[[(3S)-4,4-bis(chloranyl)-3-methyl-butanoyl]-methyl-amino]-5,5,5-tris(chloranyl)-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
SpectraBase Compound ID L4ennn7J6u
InChI InChI=1S/C16H22Cl5N3O2S/c1-9(14(17)18)6-13(25)24(3)11(7-10(2)16(19,20)21)15(26)23-8-12-22-4-5-27-12/h4-5,9-11,14H,6-8H2,1-3H3,(H,23,26)/t9-,10-,11+/m0/s1
InChIKey HRTWOYRCWPBHAL-GARJFASQSA-N
Mol Weight 497.7 g/mol
Molecular Formula C16H22Cl5N3O2S
Exact Mass 494.987537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkSx7UJfZa3
Name (2R,4S)-2-[[(3S)-4,4-bis(chloranyl)-3-methyl-butanoyl]-methyl-amino]-5,5,5-tris(chloranyl)-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22Cl5N3O2S
InChI InChI=1S/C16H22Cl5N3O2S/c1-9(14(17)18)6-13(25)24(3)11(7-10(2)16(19,20)21)15(26)23-8-12-22-4-5-27-12/h4-5,9-11,14H,6-8H2,1-3H3,(H,23,26)/t9-,10-,11+/m0/s1
InChIKey HRTWOYRCWPBHAL-GARJFASQSA-N
Molecular Weight 497.696 g/mol
SMILES N(C([C@](N(C(C[C@@](C(Cl)Cl)(C)[H])=O)C)(C[C@@](C(Cl)(Cl)Cl)(C)[H])[H])=O)Cc1nccs1
SPLASH splash10-0zfr-0095100000-4b37e1372b271cba6c7c
Source of Spectrum JA-50-139-0
Synonyms (2R,4S)-5,5,5-trichloro-2-[[(3S)-4,4-dichloro-3-methyl-1-oxobutyl]-methylamino]-4-methyl-N-(2-thiazolylmethyl)pentanamide (2R,4S)-5,5,5-trichloro-2-[[(3S)-4,4-dichloro-3-methyl-butanoyl]-methyl-amino]-4-methyl-N-(thiazol-2-ylmethyl)pentanamide (2R,4S)-5,5,5-trichloro-2-[[(3S)-4,4-dichloro-3-methyl-butanoyl]-methyl-amino]-4-methyl-N-(thiazol-2-ylmethyl)valeramide
Wiley ID 1398036