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(2S)-2-(tert-butoxycarbonylamino)-5-phenyl-valeric acid benzyl ester
SpectraBase Compound ID 3CxwHaCyaPl
InChI InChI=1S/C23H29NO4/c1-23(2,3)28-22(26)24-20(16-10-15-18-11-6-4-7-12-18)21(25)27-17-19-13-8-5-9-14-19/h4-9,11-14,20H,10,15-17H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKey QCVXCFAUAFJUFN-FQEVSTJZSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1RUkcfs2pL
Name (2S)-2-(Tert-butoxycarbonylamino)-5-phenyl-valeric acid benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.209658414 u
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-23(2,3)28-22(26)24-20(16-10-15-18-11-6-4-7-12-18)21(25)27-17-19-13-8-5-9-14-19/h4-9,11-14,20H,10,15-17H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKey QCVXCFAUAFJUFN-FQEVSTJZSA-N
Molecular Weight 383.488 g/mol
SMILES C(N[C@](C(OCC=1C=CC=CC1)=O)(CCCC=1C=CC=CC1)[H])(OC(C)(C)C)=O