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2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-alanyl)amino]-5-phenyl-, ethyl ester
SpectraBase Compound ID BEAdpjGwAwL
InChI InChI=1S/C21H30N2O5/c1-6-27-18(24)13-12-17(14-16-10-8-7-9-11-16)23-19(25)15(2)22-20(26)28-21(3,4)5/h7-13,15,17H,6,14H2,1-5H3,(H,22,26)(H,23,25)/b13-12+
InChIKey RXWHMQZFSQISSH-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 DKMCMxrMhuF
Name 2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-alanyl)amino]-5-phenyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O5
InChI InChI=1S/C21H30N2O5/c1-6-27-18(24)13-12-17(14-16-10-8-7-9-11-16)23-19(25)15(2)22-20(26)28-21(3,4)5/h7-13,15,17H,6,14H2,1-5H3,(H,22,26)(H,23,25)/b13-12+
InChIKey RXWHMQZFSQISSH-OUKQBFOZSA-N
Molecular Weight 390.480 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)C)=O)C(Cc1ccccc1)\C=C\C(=O)OCC
SPLASH splash10-004l-9710000000-b3708af9ae5a527a4b8a
Synonyms 2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-5-phenyl-, ethyl ester (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]-5-phenyl-pent-2-enoic acid ethyl ester (E)-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-5-phenyl-2-pentenoic acid ethyl ester Ethyl (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]-5-phenyl-pent-2-enoate Ethyl (E)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-5-phenyl-pent-2-enoate
Wiley ID 1491775