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L-Hydroxyprolylglycine, N,o-(butoxycarbonyl)-, propyl ester
SpectraBase Compound ID 9TT8EWOMOb4
InChI InChI=1S/C20H34N2O8/c1-4-7-10-28-19(25)22-14-15(30-20(26)29-11-8-5-2)12-16(22)18(24)21-13-17(23)27-9-6-3/h15-16H,4-14H2,1-3H3,(H,21,24)
InChIKey XKRWXWMHEHIEFI-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C20H34N2O8
Exact Mass 430.231516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AORIzdzrcdj
Name L-Hydroxyprolylglycine, N,o-(butoxycarbonyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.231516055 u
Formula C20H34N2O8
InChI InChI=1S/C20H34N2O8/c1-4-7-10-28-19(25)22-14-15(30-20(26)29-11-8-5-2)12-16(22)18(24)21-13-17(23)27-9-6-3/h15-16H,4-14H2,1-3H3,(H,21,24)
InChIKey XKRWXWMHEHIEFI-UHFFFAOYSA-N
Molecular Weight 430.498 g/mol
SMILES C1C(N(C(OCCCC)=O)CC1OC(=O)OCCCC)C(=O)NCC(OCCC)=O