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N-[(cbz-o-Methylsulfonyl-4-hydroxy)prolyl]-glycine

View entire compound with spectra: 1 NMR

N-[(cbz-o-Methylsulfonyl-4-hydroxy)prolyl]-glycine
SpectraBase Compound ID 3TMoIe2KzjF
InChI InChI=1S/C16H20N2O8S/c1-27(23,24)26-12-7-13(15(21)17-8-14(19)20)18(9-12)16(22)25-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKey XDSZQPANCWFPCS-UHFFFAOYSA-N
Mol Weight 400.4 g/mol
Molecular Formula C16H20N2O8S
Exact Mass 400.094037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHNHloHl5Hu
Name N-[(cbz-o-Methylsulfonyl-4-hydroxy)prolyl]-glycine
Comments Computed using HOSE algorithm
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Exact Mass 400.094036778 u
Formula C16H20N2O8S
InChI InChI=1S/C16H20N2O8S/c1-27(23,24)26-12-7-13(15(21)17-8-14(19)20)18(9-12)16(22)25-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKey XDSZQPANCWFPCS-UHFFFAOYSA-N
Molecular Weight 400.402 g/mol
SMILES C1(CN(C(OCC2=CC=CC=C2)=O)C(C1)C(NCC(O)=O)=O)OS(C)(=O)=O