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25927-64-4

25927-64-4 | Glutamic acid, N-[p-[(2-pyridylmethyl)amino]benzoyl]-, diethyl ester (8CI)

CAS No: 25927-64-4 Catalog No: AG002R3F MDL No:

Product Description

Catalog Number:
AG002R3F
Chemical Name:
Glutamic acid, N-[p-[(2-pyridylmethyl)amino]benzoyl]-, diethyl ester (8CI)
CAS Number:
25927-64-4
Molecular Formula:
C22H27N3O5
Molecular Weight:
413.4669
IUPAC Name:
diethyl 2-[[4-(pyridin-2-ylmethylamino)benzoyl]amino]pentanedioate
InChI:
InChI=1S/C22H27N3O5/c1-3-29-20(26)13-12-19(22(28)30-4-2)25-21(27)16-8-10-17(11-9-16)24-15-18-7-5-6-14-23-18/h5-11,14,19,24H,3-4,12-13,15H2,1-2H3,(H,25,27)
InChI Key:
LQCQOLRCJFIXMT-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H](NC(=O)c1ccc(cc1)NCc1ccccn1)CCC(=O)OCC
NSC Number:
131158

Properties

Complexity:
549  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.195g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
413.474g/mol
Monoisotopic Mass:
413.195g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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