AG00321K

3106-85-2 | L-Glutamic acid, N-acetyl-L-α-aspartyl-

AG00321K

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CAS Number	3106-85-2
Catalog Number	AG00321K(AGN-PC-0R6G0Q)
Chemical Name	L-Glutamic acid, N-acetyl-L-α-aspartyl-
IUPAC Name	(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]pentanedioic acid
InChI	InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
InChI Key	OPVPGKGADVGKTG-BQBZGAKWSA-N
MDL Number	MFCD00076652
Molecular Formula	C11H16N2O8
Molecular Weight	304.2533
NSC Number	758468
SMILES	O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@H](CC(O)=O)NC(C)=O
UNII	1W8M12WXYL
Synonyms	isospaglumic acid, N-(N-acetyl-l-alpha-aspartyl)-l-glutamic acid, N-acetyl-1-Asp-Glu, N-acetyl-1-aspartylglutamic acid, N-acetyl-1-aspartylglutamic acid, (L)-isomer ion, N-acetyl-1-aspartylglutamic acid, magnesium salt, N-acetyl-aspartyl-glutamate, N-acetyl-aspartyl-glutamic acid, N-acetyl-L-alpha-aspartylglutamic acid, N-acetylaspartylglutamate, NAAGA, NAAGA magnesium salt, NAAGA sodium salt, Naaxia, ZY 15106, Zy 15109, ZY-15106, Zy-15109, ZY15106, Zy15109, spaglumic acid, Isospaglumic acid, NAAG, 3106-85-2, N-Acetyl-Asp-Glu, N-acetylaspartylglutamate, UNII-1W8M12WXYL, N-Acetylaspartylglutamic acid, 1W8M12WXYL, CHEBI:73688, N-Acetyl-L-aspartyl-L-glutamic acid, MFCD00076652, N-acetyl-L-alpha-aspartyl-L-glutamic acid, (S)-2-((S)-2-Acetamido-3-carboxypropanamido)pentanedioic acid, Isospaglumic acid [INN], N-Acetyl-1-aspartylglutamic acid, (2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]pentanedioic acid, Acido isospaglumico, Acide isospaglumique, Acidum isospaglumicum, SR-01000597665, Ac-Asp-Glu, Ac-Asp-Glu-OH, N-(N-Acetyl-L-alpha-aspartyl)-L-glutamic acid, Spectrum_000399, Tocris-0391, N-acetyl-L-Asp-L-Glu, Prestwick0_001091, Prestwick1_001091, Prestwick2_001091, Spectrum2_001571, Spectrum3_000759, Spectrum4_000873, Spectrum5_001840, [3H]NAAG, AC1L4NI6, BSPBio_002378, BSPBio_003230, KBioGR_001565, KBioSS_000879, DivK1c_000662, SCHEMBL288514, SPECTRUM1503630, SPBio_001502, SPBio_003051, 2-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]pentanedioic acid, GTPL1405, CHEMBL1329032, DTXSID3091535, BDBM17658, HMS502B04, KBio1_000662, KBio2_000879, KBio2_003447, KBio2_006015, KBio3_001598, N-acetylaspartylglutamate (NAAG), NINDS_000662, OPVPGKGADVGKTG-BQBZGAKWSA-N, HMS1571K04, HMS3675I03, Pharmakon1600-01503630, ZINC1532510, CCG-38888, NSC758468, AKOS024457865, NSC-758468, SDCCGMLS-0066696.P001, IDI1_000662, n-acetyl-l-|A-aspartyl-l-glutamic acid, NCGC00016651-01, NCGC00016651-02, NCGC00024569-01, NCGC00024569-02, SBI-0052840.P002, HY-100921, CS-0020591, FT-0774474, L-Glutamic acid, N-acetyl-L-alpha-aspartyl-, C12270, AB00053333_02, 106N852, C-18956, SR-01000597665-1, SR-01000597665-2, W-202283, (2S)-2-[(3S)-3-acetamido-3-formamidopropanoic acid]pentanedioic acid, AEBSF hydrochloride, N-Ac-D-E, ?-NAAG, Acide isospaglumique [French], Acido isospaglumico [Spanish], Acidum isospaglumicum [Latin], D02FCY, N-acetyl-L-aspartyl-L-glutamate, C11H16N2O8, CID188803, C11-H16-N2-O8, NCGC00016651-03, CAS-4910-46-7, 30827-99-7, 4910-46-7, 95-30-7,

Complexity	448
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	304.091g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	304.255g/mol
Monoisotopic Mass	304.091g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	170A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number