AG00131I

13726-52-8 | L-Glutamic acid, N-(4-aminobenzoyl)-, 1,5-diethyl ester

AG00131I

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CAS Number	13726-52-8
Catalog Number	AG00131I(AGN-PC-0WBOD0)
Chemical Name	L-Glutamic acid, N-(4-aminobenzoyl)-, 1,5-diethyl ester
EC Number	237-293-1
IUPAC Name	diethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate
InChI	InChI=1S/C16H22N2O5/c1-3-22-14(19)10-9-13(16(21)23-4-2)18-15(20)11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10,17H2,1-2H3,(H,18,20)/t13-/m0/s1
InChI Key	RJXFBLRRPYBPTM-ZDUSSCGKSA-N
MDL Number	MFCD00009617
Molecular Formula	C16H22N2O5
Molecular Weight	322.3563
SMILES	O=C(OCC)[C@@H](NC(C1=CC=C(N)C=C1)=O)CCC(OCC)=O
Synonyms	13726-52-8, N-(4-Aminobenzoyl)-L-glutamic acid diethyl ester, Diethyl N-(4-aminobenzoyl)-L-glutamate, Diethyl N-(p-aminobenzoyl)-L-glutamate, MFCD00009617, RJXFBLRRPYBPTM-ZDUSSCGKSA-N, A-5050, EINECS 237-293-1, NSC 82885, (S)-Diethyl 2-(4-aminobenzamido)pentanedioate, 4-Abz-Glu(OEt)-OEt, AC1L2J3E, AC1Q5E9H, L-Glutamic acid, N-(4-aminobenzoyl)-, diethyl ester, SCHEMBL1143549, CHEMBL3278335, CTK8B0599, DTXSID70160125, diethyl 4-aminobenzoyl-l-glutamate, diethyl p-aminobenzoyl-L-glutamate, ZINC1730527, 7470AH, ANW-20222, AKOS015838775, AKOS015888430, AJ-31210, TR-031464, A1240, FT-0629199, ST50406523, Diethyl 2-[(4-aminobenzoyl)amino]pentanedioate #, N-(p-Aminobenzoyl)-L-glutamic acid diethyl ester, diethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate, I01-10175, N-(4-Aminobenzoyl)-L-glutamic acid diethyl ester, 97%, L-Glutamic acid, N-(4-aminobenzoyl)-, 1,5-diethyl ester, 1,5-diethyl (2S)-2-[(4-aminophenyl)formamido]pentanedioate, diethyl (2S)-2-[(4-aminophenyl)carbonylamino]pentane-1,5-dioate, C16H22N2O5, CID73002, NSC82885, AR-1I4736, C16-H22-N2-O5, 138660-08-9,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	322.153g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	322.361g/mol
Monoisotopic Mass	322.153g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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