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(2S)-4-(methylthio)-2-[[4-[[(E)-3-(2-naphthyl)acryloyl]amino]benzoyl]amino]butyric acid methyl ester
SpectraBase Compound ID BhzBX0DkuKm
InChI InChI=1S/C26H26N2O4S/c1-32-26(31)23(15-16-33-2)28-25(30)20-10-12-22(13-11-20)27-24(29)14-8-18-7-9-19-5-3-4-6-21(19)17-18/h3-14,17,23H,15-16H2,1-2H3,(H,27,29)(H,28,30)/b14-8+/t23-/m0/s1
InChIKey QPFHHQRIEWGHIR-QSUDNNBSSA-N
Mol Weight 462.56 g/mol
Molecular Formula C26H26N2O4S
Exact Mass 462.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B32OCh3J0eO
Name (2S)-4-(methylthio)-2-[[4-[[(E)-3-(2-naphthyl)acryloyl]amino]benzoyl]amino]butyric acid methyl ester
Alternate Name(s) (2S)-4-(methylthio)-2-[[[4-[[(E)-3-(2-naphthalenyl)-1-oxoprop-2-enyl]amino]phenyl]-oxomethyl]amino]butanoic acid methyl ester Methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-(2-naphthyl)prop-2-enoyl]amino]benzoyl]amino]butanoate Methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]benzoyl]amino]butanoate Methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]phenyl]carbonylamino]butanoate
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Formula C26H26N2O4S
InChI InChI=1S/C26H26N2O4S/c1-32-26(31)23(15-16-33-2)28-25(30)20-10-12-22(13-11-20)27-24(29)14-8-18-7-9-19-5-3-4-6-21(19)17-18/h3-14,17,23H,15-16H2,1-2H3,(H,27,29)(H,28,30)/b14-8+/t23-/m0/s1
InChIKey QPFHHQRIEWGHIR-QSUDNNBSSA-N
Molecular Weight 462.564 g/mol
SMILES N(C(c1ccc(NC(\C=C\c2cc3ccccc3cc2)=O)cc1)=O)[C@](C(=O)OC)(CCSC)[H]
SPLASH splash10-0f8i-0409200000-43d6381302b56efde252
Source of Spectrum D9-335-141-9
Wiley ID 1550946