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2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-, ethyl ester
SpectraBase Compound ID DpMFzJNerIw
InChI InChI=1S/C15H26N2O5/c1-7-21-12(18)9-8-10(2)16-13(19)11(3)17-14(20)22-15(4,5)6/h8-11H,7H2,1-6H3,(H,16,19)(H,17,20)/b9-8+
InChIKey MHKCUBUWBNTLIX-CMDGGOBGSA-N
Mol Weight 314.38 g/mol
Molecular Formula C15H26N2O5
Exact Mass 314.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TzLWZL2TZ1
Name 2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-, ethyl ester
Alternate Name(s) 2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-alanyl)amino]-, ethyl ester (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]pent-2-enoic acid ethyl ester (E)-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-pentenoic acid ethyl ester Ethyl (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]pent-2-enoate Ethyl (E)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]pent-2-enoate
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Formula C15H26N2O5
InChI InChI=1S/C15H26N2O5/c1-7-21-12(18)9-8-10(2)16-13(19)11(3)17-14(20)22-15(4,5)6/h8-11H,7H2,1-6H3,(H,16,19)(H,17,20)/b9-8+
InChIKey MHKCUBUWBNTLIX-CMDGGOBGSA-N
Molecular Weight 314.382 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(=O)NC(\C=C\C(OCC)=O)C)C
SPLASH splash10-0006-9200000000-cb0520f98d1f4d8729ba
Wiley ID 1491925