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(2S,4S)-2-amino-4-(2-naphthalenylmethyl)pentanedioic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2S,4S)-2-amino-4-(2-naphthalenylmethyl)pentanedioic acid
SpectraBase Compound ID 7IG44G2Gcyc
InChI InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1
InChIKey YDWIUFASTTZKNI-KBPBESRZSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2D6wZUty2ni
Name (2S,4S)-2-Amino-4-(2-naphthalenylmethyl)pentanedioic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.115758027 u
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1
InChIKey YDWIUFASTTZKNI-KBPBESRZSA-N
SMILES C([C@](C[C@@](C(=O)O)(N)[H])(CC=1C=C2C=CC=CC2=CC1)[H])(=O)O