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(2S)-2-[4-methylpent-3-enyl(tosyl)amino]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID 8JLl2DsYdM1
InChI InChI=1S/C23H29NO4S/c1-18(2)9-8-16-24(29(26,27)21-14-12-19(3)13-15-21)22(23(25)28-4)17-20-10-6-5-7-11-20/h5-7,9-15,22H,8,16-17H2,1-4H3/t22-/m0/s1
InChIKey LKKXTLWZHBETDH-QFIPXVFZSA-N
Mol Weight 415.55 g/mol
Molecular Formula C23H29NO4S
Exact Mass 415.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pEmqkvcUzh
Name (2S)-2-[4-methylpent-3-enyl(tosyl)amino]-3-phenyl-propionic acid methyl ester
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Formula C23H29NO4S
InChI InChI=1S/C23H29NO4S/c1-18(2)9-8-16-24(29(26,27)21-14-12-19(3)13-15-21)22(23(25)28-4)17-20-10-6-5-7-11-20/h5-7,9-15,22H,8,16-17H2,1-4H3/t22-/m0/s1
InChIKey LKKXTLWZHBETDH-QFIPXVFZSA-N
Molecular Weight 415.548 g/mol
SMILES [C@](N(S(c1ccc(cc1)C)(=O)=O)CCC=C(C)C)(C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0a59-9541000000-2e8503eca09d99276706
Source of Spectrum J-61-2834-10
Synonyms (2S)-2-[4-methylpent-3-enyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid methyl ester Methyl (2S)-2-[4-methylpent-3-enyl(p-tolylsulfonyl)amino]-3-phenyl-propanoate Methyl (2S)-2-[4-methylpent-3-enyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoate
Wiley ID 1375995