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(R,E)-methyl 2-(tert-butoxycarbonylamino)-3-(undec-2-en-2-ylthio)propanoate
SpectraBase Compound ID ISFC9rEYg77
InChI InChI=1S/C20H37NO4S/c1-7-8-9-10-11-12-13-14-16(2)26-15-17(18(22)24-6)21-19(23)25-20(3,4)5/h14,17H,7-13,15H2,1-6H3,(H,21,23)/b16-14+/t17-/m0/s1
InChIKey ZOVYIYUDHFLXLQ-ZQHZRZASSA-N
Mol Weight 387.6 g/mol
Molecular Formula C20H37NO4S
Exact Mass 387.24433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcVpdQHayLG
Name (R,E)-methyl 2-(tert-butoxycarbonylamino)-3-(undec-2-en-2-ylthio)propanoate
Alternate Name(s) (R,E)-methyl 2-((tert-butoxycarbonyl)amino)-3-(undec-2-en-2-ylthio)propanoate (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(E)-undec-2-en-2-yl]thio]propanoic acid methyl ester Methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-undec-2-en-2-yl]sulfanylpropanoate Methyl (2R)-2-(tert-butoxycarbonylamino)-3-[(E)-1-methyldec-1-enyl]sulfanyl-propanoate Methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-undec-2-en-2-yl]sulfanyl-propanoate
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Formula C20H37NO4S
InChI InChI=1S/C20H37NO4S/c1-7-8-9-10-11-12-13-14-16(2)26-15-17(18(22)24-6)21-19(23)25-20(3,4)5/h14,17H,7-13,15H2,1-6H3,(H,21,23)/b16-14+/t17-/m0/s1
InChIKey ZOVYIYUDHFLXLQ-ZQHZRZASSA-N
Literature Reference DOI 10.1002/adsc.200303010
Molecular Weight 387.579 g/mol
SMILES N([C@@](CS\C(C)=C/CCCCCCCC)(C(OC)=O)[H])C(=O)OC(C)(C)C
SPLASH splash10-0pb9-9601000000-fca005b3fef793508b9a
Source of Spectrum ASC-345-562-(R,E)_4b
Wiley ID 1767407