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(2R,3R,4R) 5-Amino-N-[S-1-(tert-butoxycarbonyl)-2,2-dimethylpropyl]-2,3-(isopropylidenedioxy)pentane-1,4-lactone
SpectraBase Compound ID FylPqtGDVnb
InChI InChI=1S/C18H31NO6/c1-16(2,3)13(15(21)25-17(4,5)6)19-9-10-11-12(14(20)22-10)24-18(7,8)23-11/h10-13,19H,9H2,1-8H3/t10-,11-,12-,13-/m1/s1
InChIKey OFRYTFGZJIFCHM-FDYHWXHSSA-N
Mol Weight 357.45 g/mol
Molecular Formula C18H31NO6
Exact Mass 357.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUw5ABIvuYi
Name (2R,3R,4R) 5-Amino-N-[S-1-(tert-butoxycarbonyl)-2,2-dimethylpropyl]-2,3-(isopropylidenedioxy)pentane-1,4-lactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.215137716 u
Formula C18H31NO6
InChI InChI=1S/C18H31NO6/c1-16(2,3)13(15(21)25-17(4,5)6)19-9-10-11-12(14(20)22-10)24-18(7,8)23-11/h10-13,19H,9H2,1-8H3/t10-,11-,12-,13-/m1/s1
InChIKey OFRYTFGZJIFCHM-FDYHWXHSSA-N
Molecular Weight 357.447 g/mol
SMILES [C@@]12([C@@]([C@@](CN[C@](C(OC(C)(C)C)=O)(C(C)(C)C)[H])(OC2=O)[H])(OC(O1)(C)C)[H])[H]