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13726-52-8

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

CAS No: 13726-52-8 Catalog No: AG00131I MDL No:MFCD00009617

Product Description

Catalog Number:
AG00131I
Chemical Name:
L-Glutamic acid, N-(4-aminobenzoyl)-, 1,5-diethyl ester
CAS Number:
13726-52-8
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
MDL Number:
MFCD00009617
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
SMILES:
CCOC(=O)[C@@H](NC(=O)c1ccc(cc1)N)CCC(=O)OCC
EC Number:
237-293-1

Properties

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  

Literature

Title Journal
[Synthesis of diethyl N-[p-(methylamino)benzoyl]-L-glutamate]. Beijing da xue xue bao. Yi xue ban = Journal of Peking University. Health sciences 20080818

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