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(2S)-4-(methylthio)-2-[[4-[[(E)-3-(2-naphthyl)acryloyl]amino]benzoyl]amino]butyric acid
SpectraBase Compound ID 5sr6gVzWb7e
InChI InChI=1S/C25H24N2O4S/c1-32-15-14-22(25(30)31)27-24(29)19-9-11-21(12-10-19)26-23(28)13-7-17-6-8-18-4-2-3-5-20(18)16-17/h2-13,16,22H,14-15H2,1H3,(H,26,28)(H,27,29)(H,30,31)/b13-7+/t22-/m0/s1
InChIKey ITWDTOOKBQADLM-PTHHNIJRSA-N
Mol Weight 448.54 g/mol
Molecular Formula C25H24N2O4S
Exact Mass 448.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMyGlDo3fO6
Name (2S)-4-(methylthio)-2-[[4-[[(E)-3-(2-naphthyl)acryloyl]amino]benzoyl]amino]butyric acid
Alternate Name(s) (2S)-4-(methylthio)-2-[[[4-[[(E)-3-(2-naphthalenyl)-1-oxoprop-2-enyl]amino]phenyl]-oxomethyl]amino]butanoic acid (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-(2-naphthyl)prop-2-enoyl]amino]benzoyl]amino]butanoic acid (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]benzoyl]amino]butanoic acid (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]phenyl]carbonylamino]butanoic acid
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Formula C25H24N2O4S
InChI InChI=1S/C25H24N2O4S/c1-32-15-14-22(25(30)31)27-24(29)19-9-11-21(12-10-19)26-23(28)13-7-17-6-8-18-4-2-3-5-20(18)16-17/h2-13,16,22H,14-15H2,1H3,(H,26,28)(H,27,29)(H,30,31)/b13-7+/t22-/m0/s1
InChIKey ITWDTOOKBQADLM-PTHHNIJRSA-N
Molecular Weight 448.537 g/mol
SMILES N(C(c1ccc(NC(\C=C\c2cc3ccccc3cc2)=O)cc1)=O)[C@](C(=O)O)(CCSC)[H]
SPLASH splash10-001i-0901000000-f46db9e628da4d0b9add
Source of Spectrum D9-335-141-10
Wiley ID 1550942