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(2S)-2-(benzyloxycarbonylamino)-2-deuterio-3-(1H-indol-3-yl)propionic acid ethyl ester
SpectraBase Compound ID Hbo5dumAs3f
InChI InChI=1S/C21H22N2O4/c1-2-26-20(24)19(12-16-13-22-18-11-7-6-10-17(16)18)23-21(25)27-14-15-8-4-3-5-9-15/h3-11,13,19,22H,2,12,14H2,1H3,(H,23,25)/t19-/m0/s1/i19D
InChIKey HBEYOADCZVIALX-MDGSFACESA-N
Mol Weight 367.42 g/mol
Molecular Formula C21H212DN2O4
Exact Mass 367.164234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN68AKaezUn
Name (2S)-2-(benzyloxycarbonylamino)-2-deuterio-3-(1H-indol-3-yl)propionic acid ethyl ester
Alternate Name(s) (2S)-2-deuterio-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester Ethyl (2S)-2-(benzyloxycarbonylamino)-2-deuterio-3-(1H-indol-3-yl)propanoate Ethyl (2S)-2-deuterio-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
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Formula C21H21DN2O4
InChI InChI=1S/C21H22N2O4/c1-2-26-20(24)19(12-16-13-22-18-11-7-6-10-17(16)18)23-21(25)27-14-15-8-4-3-5-9-15/h3-11,13,19,22H,2,12,14H2,1H3,(H,23,25)/t19-/m0/s1/i19D
InChIKey HBEYOADCZVIALX-MDGSFACESA-N
Molecular Weight 367.423 g/mol
SMILES [nH]1c2c(c(C[C@](NC(=O)OCc3ccccc3)(C(=O)OCC)[2D])c1)cccc2
SPLASH splash10-001i-1902000000-69679de6add7429f2043
Source of Spectrum F-54-15768-0
Wiley ID 804321