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2-Hexenoic acid, (4S)-4-[(t-butoxycarbonyl)-(S)-phenylalanyl)amino]-5-methyl, methyl ester
SpectraBase Compound ID ISrtZC4u4vY
InChI InChI=1S/C22H32N2O5/c1-15(2)17(12-13-19(25)28-6)23-20(26)18(14-16-10-8-7-9-11-16)24-21(27)29-22(3,4)5/h7-13,15,17-18H,14H2,1-6H3,(H,23,26)(H,24,27)/b13-12+
InChIKey SLBLYZIJGAKSPU-OUKQBFOZSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32N2O5
Exact Mass 404.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2rohVV5LKi
Name 2-Hexenoic acid, (4S)-4-[(t-butoxycarbonyl)-(S)-phenylalanyl)amino]-5-methyl, methyl ester
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Formula C22H32N2O5
InChI InChI=1S/C22H32N2O5/c1-15(2)17(12-13-19(25)28-6)23-20(26)18(14-16-10-8-7-9-11-16)24-21(27)29-22(3,4)5/h7-13,15,17-18H,14H2,1-6H3,(H,23,26)(H,24,27)/b13-12+
InChIKey SLBLYZIJGAKSPU-OUKQBFOZSA-N
Molecular Weight 404.507 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)C(\C=C\C(=O)OC)C(C)C
SPLASH splash10-0c00-7910000000-c0aa924159883249ee3e
Synonyms 2-Hexenoic acid, (4S)-4-[(t-butoxycarbonyl)-(R)-phenylalanyl)amino]-5-methyl, methyl ester (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-5-methyl-hex-2-enoic acid methyl ester (E)-5-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-hexenoic acid methyl ester Methyl (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-5-methyl-hex-2-enoate Methyl (E)-5-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hex-2-enoate
Wiley ID 1491139