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(2S)-4-(2-aminophenyl)-2-(benzyloxycarbonylamino)-2-deuterio-4-keto-butyric acid
SpectraBase Compound ID 7bvGr8dTJyI
InChI InChI=1S/C18H18N2O5/c19-14-9-5-4-8-13(14)16(21)10-15(17(22)23)20-18(24)25-11-12-6-2-1-3-7-12/h1-9,15H,10-11,19H2,(H,20,24)(H,22,23)/t15-/m0/s1/i15D
InChIKey GXVNQZYPZGWSGR-IPAYDBEPSA-N
Mol Weight 343.36 g/mol
Molecular Formula C18H172DN2O5
Exact Mass 343.127848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hin5kjgGjNA
Name (2S)-4-(2-aminophenyl)-2-(benzyloxycarbonylamino)-2-deuterio-4-keto-butyric acid
Alternate Name(s) (2S)-4-(2-aminophenyl)-2-(benzyloxycarbonylamino)-2-deuterio-4-oxo-butanoic acid (2S)-4-(2-aminophenyl)-2-deuterio-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid (2S)-4-(2-aminophenyl)-2-deuterio-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C18H17DN2O5
InChI InChI=1S/C18H18N2O5/c19-14-9-5-4-8-13(14)16(21)10-15(17(22)23)20-18(24)25-11-12-6-2-1-3-7-12/h1-9,15H,10-11,19H2,(H,20,24)(H,22,23)/t15-/m0/s1/i15D
InChIKey GXVNQZYPZGWSGR-IPAYDBEPSA-N
Molecular Weight 343.357 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C(=O)O)(CC(c1c(N)cccc1)=O)[2D]
SPLASH splash10-000o-0099000000-4e702b3c09b3c59f6abb
Source of Spectrum F-54-15769-0
Wiley ID 804320