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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-6-methyl, ethyl ester
SpectraBase Compound ID AELvRb2Wd5v
InChI InChI=1S/C24H36N2O5/c1-7-30-21(27)14-13-19(15-17(2)3)25-22(28)20(16-18-11-9-8-10-12-18)26-23(29)31-24(4,5)6/h8-14,17,19-20H,7,15-16H2,1-6H3,(H,25,28)(H,26,29)/b14-13+
InChIKey MSEGTKVCLORNTL-BUHFOSPRSA-N
Mol Weight 432.6 g/mol
Molecular Formula C24H36N2O5
Exact Mass 432.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4D56AEAsmu
Name 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-6-methyl, ethyl ester
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Formula C24H36N2O5
InChI InChI=1S/C24H36N2O5/c1-7-30-21(27)14-13-19(15-17(2)3)25-22(28)20(16-18-11-9-8-10-12-18)26-23(29)31-24(4,5)6/h8-14,17,19-20H,7,15-16H2,1-6H3,(H,25,28)(H,26,29)/b14-13+
InChIKey MSEGTKVCLORNTL-BUHFOSPRSA-N
Molecular Weight 432.561 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)C(\C=C\C(=O)OCC)CC(C)C
SPLASH splash10-0c00-6911000000-edb08762d33d5c7cc483
Synonyms 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl)amino]-6-methyl-, ethyl ester (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoic acid ethyl ester (E)-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-heptenoic acid ethyl ester Ethyl (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoate Ethyl (E)-6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hept-2-enoate
Wiley ID 1492719