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(2S)-2-amino-N-[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]ethyl]-3-methylbutanamide
SpectraBase Compound ID 1itiUq6cDF1
InChI InChI=1S/C12H26N4O2/c1-7(2)9(13)11(17)15-5-6-16-12(18)10(14)8(3)4/h7-10H,5-6,13-14H2,1-4H3,(H,15,17)(H,16,18)/t9-,10-/m0/s1
InChIKey DWFQYBHBQWQYKB-UWVGGRQHSA-N
Mol Weight 258.37 g/mol
Molecular Formula C12H26N4O2
Exact Mass 258.205576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjGMFqbnNxk
Name (2S)-2-Amino-N-[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]ethyl]-3-methylbutanamide
Comments Computed using HOSE algorithm
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Exact Mass 258.205576091 u
Formula C12H26N4O2
InChI InChI=1S/C12H26N4O2/c1-7(2)9(13)11(17)15-5-6-16-12(18)10(14)8(3)4/h7-10H,5-6,13-14H2,1-4H3,(H,15,17)(H,16,18)/t9-,10-/m0/s1
InChIKey DWFQYBHBQWQYKB-UWVGGRQHSA-N
SMILES C([C@@](N)(C(C)C)[H])(=O)NCCNC([C@@](N)(C(C)C)[H])=O