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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl)-(R)-phenylalanyl)amino]-6-methyl-, methyl ester
SpectraBase Compound ID HNd8gL8QpCF
InChI InChI=1S/C23H34N2O5/c1-16(2)14-18(12-13-20(26)29-6)24-21(27)19(15-17-10-8-7-9-11-17)25-22(28)30-23(3,4)5/h7-13,16,18-19H,14-15H2,1-6H3,(H,24,27)(H,25,28)/b13-12+
InChIKey XIFHZBWZJXHYHU-OUKQBFOZSA-N
Mol Weight 418.5 g/mol
Molecular Formula C23H34N2O5
Exact Mass 418.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cso8RcLuS
Name 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl)-(R)-phenylalanyl)amino]-6-methyl-, methyl ester
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Formula C23H34N2O5
InChI InChI=1S/C23H34N2O5/c1-16(2)14-18(12-13-20(26)29-6)24-21(27)19(15-17-10-8-7-9-11-17)25-22(28)30-23(3,4)5/h7-13,16,18-19H,14-15H2,1-6H3,(H,24,27)(H,25,28)/b13-12+
InChIKey XIFHZBWZJXHYHU-OUKQBFOZSA-N
Molecular Weight 418.534 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)C(\C=C\C(=O)OC)CC(C)C
SPLASH splash10-0c00-6910000000-cc5bcbda76af7b6b054a
Synonyms 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl)-(S)-phenylalanyl)amino]-6-methyl-, methyl ester (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoic acid methyl ester (E)-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-heptenoic acid methyl ester Methyl (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoate Methyl (E)-6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hept-2-enoate
Wiley ID 1491397