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3-(4-isopropoxyphenyl)-3-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]propanoic acid
SpectraBase Compound ID vyYtWLvXeI
InChI InChI=1S/C21H25NO5S/c1-13(2)27-15-7-5-14(6-8-15)18(12-20(23)24)22-21(25)17-10-9-16(28-4)11-19(17)26-3/h5-11,13,18H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKey TYQOXSWVLGDQOC-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsETMtuSQSH
Name 3-(4-isopropoxyphenyl)-3-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]propanoic acid
Alternate Name(s) 3-(4-isopropoxyphenyl)-3-[[2-methoxy-4-(methylthio)benzoyl]amino]propionic acid 3-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid 3-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid 3-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
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Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-13(2)27-15-7-5-14(6-8-15)18(12-20(23)24)22-21(25)17-10-9-16(28-4)11-19(17)26-3/h5-11,13,18H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKey TYQOXSWVLGDQOC-UHFFFAOYSA-N
Molecular Weight 403.493 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NC(=O)c1ccc(cc1OC)SC)=O
SPLASH splash10-001i-3910000000-fbc4ea29ca5aed5adaec
Wiley ID 1444532