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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-6-methyl-
SpectraBase Compound ID KpTKwE1nyek
InChI InChI=1S/C22H32N2O5/c1-15(2)13-17(11-12-19(25)26)23-20(27)18(14-16-9-7-6-8-10-16)24-21(28)29-22(3,4)5/h6-12,15,17-18H,13-14H2,1-5H3,(H,23,27)(H,24,28)(H,25,26)/b12-11+
InChIKey KMAMYVMEDQARHG-VAWYXSNFSA-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 Kc7MC5GTdnQ
Name 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-6-methyl-
Alternate Name(s) 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl)amino]-6-methyl- (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoic acid (E)-6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hept-2-enoic acid (E)-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-heptenoic acid
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Formula C22H32N2O5
InChI InChI=1S/C22H32N2O5/c1-15(2)13-17(11-12-19(25)26)23-20(27)18(14-16-9-7-6-8-10-16)24-21(28)29-22(3,4)5/h6-12,15,17-18H,13-14H2,1-5H3,(H,23,27)(H,24,28)(H,25,26)/b12-11+
InChIKey KMAMYVMEDQARHG-VAWYXSNFSA-N
Molecular Weight 404.507 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)C(\C=C\C(=O)O)CC(C)C
SPLASH splash10-0c00-8910000000-27093a8c59cdeca6ddd2
Wiley ID 1492950