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(2S)-2-{[(2S)-2-amino-4-methylpentanoyl]amino}-3-(4-hydroxyphenyl)propanoic acid, 2tms

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(2S)-2-{[(2S)-2-amino-4-methylpentanoyl]amino}-3-(4-hydroxyphenyl)propanoic acid, 2tms
SpectraBase Compound ID 8TOYBvRaAL6
InChI InChI=1S/C21H38N2O4Si2/c1-15(2)13-18(22)20(24)23-19(21(25)27-29(6,7)8)14-16-9-11-17(12-10-16)26-28(3,4)5/h9-12,15,18-19H,13-14,22H2,1-8H3,(H,23,24)/t18-,19-/m0/s1
InChIKey VLCBDSDWERXZSW-OALUTQOASA-N
Mol Weight 438.7 g/mol
Molecular Formula C21H38N2O4Si2
Exact Mass 438.237011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqUgvmhQ92N
Name (2S)-2-{[(2S)-2-amino-4-methylpentanoyl]amino}-3-(4-hydroxyphenyl)propanoic acid, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 438.237010778 u
Formula C21H38N2O4Si2
InChI InChI=1S/C21H38N2O4Si2/c1-15(2)13-18(22)20(24)23-19(21(25)27-29(6,7)8)14-16-9-11-17(12-10-16)26-28(3,4)5/h9-12,15,18-19H,13-14,22H2,1-8H3,(H,23,24)/t18-,19-/m0/s1
InChIKey VLCBDSDWERXZSW-OALUTQOASA-N
Molecular Weight 438.715 g/mol
SMILES [C@@](NC(=O)[C@@]([H])(N)CC(C)C)([H])(CC1=CC=C(C=C1)O[Si](C)(C)C)C(=O)O[Si](C)(C)C