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(2S)-2-amino-2-(phenylmethyl)pentanedioic acid
SpectraBase Compound ID 9ivDhQruABG
InChI InChI=1S/C12H15NO4/c13-12(11(16)17,7-6-10(14)15)8-9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H,14,15)(H,16,17)/t12-/m0/s1
InChIKey GHBDJTAKZXGXIP-LBPRGKRZSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bYSxg0qGvV
Name (2S)-2-amino-2-(phenylmethyl)pentanedioic acid
CAS Registry Number 4493-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c13-12(11(16)17,7-6-10(14)15)8-9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H,14,15)(H,16,17)/t12-/m0/s1
InChIKey GHBDJTAKZXGXIP-LBPRGKRZSA-N
Molecular Weight 237.255 g/mol
SMILES OC([C@@](Cc1ccccc1)(CCC(=O)O)N)=O
SPLASH splash10-004r-9800000000-9b14cd9085af0d2b1e50
Source of Spectrum H-68-1517-24
Synonyms (2S)-2-amino-2-benzyl-glutaric acid (2S)-2-amino-2-benzyl-pentanedioic acid (2S)-2-azanyl-2-(phenylmethyl)pentanedioic acid
Wiley ID 1239450