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(2S,3S)-3-(t-Butoxy)-2-{N-[(9H-fluoren-9'-ylmethoxy)carbonyl]amino}-5-(p-nitrophenoxy)pentanoic acid
SpectraBase Compound ID 9F8SYxi1uq2
InChI InChI=1S/C30H32N2O8/c1-30(2,3)40-26(16-17-38-20-14-12-19(13-15-20)32(36)37)27(28(33)34)31-29(35)39-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-27H,16-18H2,1-3H3,(H,31,35)(H,33,34)/t26-,27-/m0/s1
InChIKey VIXDROXJWQQFCT-SVBPBHIXSA-N
Mol Weight 548.6 g/mol
Molecular Formula C30H32N2O8
Exact Mass 548.215866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zVeqoSqbq3
Name (2S,3S)-3-(T-Butoxy)-2-{N-[(9H-fluoren-9'-ylmethoxy)carbonyl]amino}-5-(p-nitrophenoxy)pentanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.215865990 u
Formula C30H32N2O8
InChI InChI=1S/C30H32N2O8/c1-30(2,3)40-26(16-17-38-20-14-12-19(13-15-20)32(36)37)27(28(33)34)31-29(35)39-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-27H,16-18H2,1-3H3,(H,31,35)(H,33,34)/t26-,27-/m0/s1
InChIKey VIXDROXJWQQFCT-SVBPBHIXSA-N
Molecular Weight 548.592 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)OCC[C@@]([C@](NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)(C(=O)O)[H])(OC(C)(C)C)[H]