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ala-his, N,N'-di(Ethoxycarbonyl)-, ethyl ester

View entire compound with spectra: 1 NMR

ala-his, N,N'-di(Ethoxycarbonyl)-, ethyl ester
SpectraBase Compound ID DcpUtWjMWRe
InChI InChI=1S/C17H26N4O7/c1-5-26-15(23)13(20-14(22)11(4)19-16(24)27-6-2)8-12-9-21(10-18-12)17(25)28-7-3/h9-11,13H,5-8H2,1-4H3,(H,19,24)(H,20,22)
InChIKey TVUVXVRSXRIBSC-UHFFFAOYSA-N
Mol Weight 398.42 g/mol
Molecular Formula C17H26N4O7
Exact Mass 398.180149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVaz5jF1FzV
Name ala-his, N,N'-di(Ethoxycarbonyl)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.180149186 u
Formula C17H26N4O7
InChI InChI=1S/C17H26N4O7/c1-5-26-15(23)13(20-14(22)11(4)19-16(24)27-6-2)8-12-9-21(10-18-12)17(25)28-7-3/h9-11,13H,5-8H2,1-4H3,(H,19,24)(H,20,22)
InChIKey TVUVXVRSXRIBSC-UHFFFAOYSA-N
Molecular Weight 398.416 g/mol
SMILES C(=O)(C(NC(OCC)=O)C)NC(C(=O)OCC)CC=1N=CN(C1)C(OCC)=O