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N-(tert-Butoxycarbonyl)-3-(4-methoxybenzylthio)alanine
SpectraBase Compound ID 8HrB9gx5xyS
InChI InChI=1S/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKey VRTXRNJMNFVTOM-UHFFFAOYSA-N
Mol Weight 341.42 g/mol
Molecular Formula C16H23NO5S
Exact Mass 341.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cdpJxCFA2
Name N-(tert-Butoxycarbonyl)-3-(4-methoxybenzylthio)alanine
Alternate Name(s) 2-(tert-butoxycarbonylamino)-3-(p-anisylthio)propionic acid 2-(tert-butoxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid 3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid 3-[(4-methoxyphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid N-(tert-Butoxycarbonyl)(4-methoxybenzyl)cysteine
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Formula C16H23NO5S
InChI InChI=1S/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKey VRTXRNJMNFVTOM-UHFFFAOYSA-N
Molecular Weight 341.422 g/mol
SMILES OC(C(CSCc1ccc(cc1)OC)NC(=O)OC(C)(C)C)=O
SPLASH splash10-05fu-9610000000-899ec753c331f6114e2f
Wiley ID 1468809