[3',3',4',4'-2H4]-p-Aminobenzoyl-L-glutamic acid

SpectraBase Compound ID	176CimoJpKl
InChI	InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1/i5D2,6D2
InChIKey	GADGMZDHLQLZRI-JZIFLIAGSA-N Google Search
Mol Weight	270.28 g/mol
Molecular Formula	C12H10D4N2O5
Exact Mass	270.115379 g/mol

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SpectraBase Spectrum ID	EqAyNZd12jS
Name	[3',3',4',4'-2H4]-p-Aminobenzoyl-L-glutamic acid
Alternate Name(s)	(4S)-4-[[(4-aminophenyl)-oxomethyl]amino]-2,2,3,3-tetradeuteriopentanedioic acid (4S)-4-[(4-aminobenzoyl)amino]-2,2,3,3-tetradeuteriopentanedioic acid (4S)-4-[(4-aminobenzoyl)amino]-2,2,3,3-tetradeuterio-pentanedioic acid (4S)-4-[(4-aminophenyl)carbonylamino]-2,2,3,3-tetradeuterio-pentanedioic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H10D4N2O5
InChI	InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1/i5D2,6D2
InChIKey	GADGMZDHLQLZRI-JZIFLIAGSA-N
Molecular Weight	270.277 g/mol
SMILES	OC(C(C([C@@](C(=O)O)(NC(c1ccc(cc1)N)=O)[H])([D])[D])([D])[D])=O
SPLASH	splash10-00di-3900000000-09f63b04ef539a815f8c
Source of Spectrum	KC-0-1322-30
Wiley ID	827972