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2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-, ethyl ester
SpectraBase Compound ID AttZGmqK2hY
InChI InChI=1S/C21H30N2O5/c1-6-27-18(24)13-12-15(2)22-19(25)17(14-16-10-8-7-9-11-16)23-20(26)28-21(3,4)5/h7-13,15,17H,6,14H2,1-5H3,(H,22,25)(H,23,26)/b13-12+
InChIKey SGEZFWMRPVJJMW-OUKQBFOZSA-N
Mol Weight 390.48 g/mol
Molecular Formula C21H30N2O5
Exact Mass 390.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQQ4EQmW3QM
Name 2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-, ethyl ester
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Formula C21H30N2O5
InChI InChI=1S/C21H30N2O5/c1-6-27-18(24)13-12-15(2)22-19(25)17(14-16-10-8-7-9-11-16)23-20(26)28-21(3,4)5/h7-13,15,17H,6,14H2,1-5H3,(H,22,25)(H,23,26)/b13-12+
InChIKey SGEZFWMRPVJJMW-OUKQBFOZSA-N
Molecular Weight 390.480 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(=O)NC(\C=C\C(=O)OCC)C)Cc1ccccc1
SPLASH splash10-0ab9-9600000000-0b39f53470ff9becf428
Synonyms 2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl)amino]-, ethyl ester (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]pent-2-enoic acid ethyl ester (E)-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-pentenoic acid ethyl ester Ethyl (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]pent-2-enoate Ethyl (E)-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pent-2-enoate
Wiley ID 1491908