[1,2,3,4,5,6-13C6,3',3',4',4'-2H4]-p-Aminobenzoyl-L-glutamic acid

SpectraBase Compound ID	DjosirsFSrA
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/i1+1,2+1,3+1,4+1,5D2,6D2,7+1,8+1
InChIKey	GADGMZDHLQLZRI-VIBASIMZSA-N Google Search
Mol Weight	276.23 g/mol
Molecular Formula	C613C6H10D4N2O5
Exact Mass	276.135508 g/mol

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SpectraBase Spectrum ID	3SjMtbN5SsT
Name	[1,2,3,4,5,6-13C6,3',3',4',4'-2H4]-p-Aminobenzoyl-L-glutamic acid
Comments	Original formula: C6[13C]6H10D4N2O5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H14N2O5
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/i1+1,2+1,3+1,4+1,5D2,6D2,7+1,8+1
InChIKey	GADGMZDHLQLZRI-VIBASIMZSA-N
Molecular Weight	276.232 g/mol
SMILES	OC(C(C([C@@](C(=O)O)(NC([13c]1[13cH][13cH][13c]([13cH][13cH]1)N)=O)[H])([D])[D])([D])[D])=O
SPLASH	splash10-004i-0900000000-c36ca8041e5c3027327e
Source of Spectrum	KC-0-1322-34
Synonyms	(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-azanylphenyl)carbonylamino]-2,2,3,3-tetradeuterio-pentanedioic acid
Wiley ID	827970