Home Sulfos Glycine, glycyl-, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

Glycine, glycyl-, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

CAS No.:
1738-82-5
Catalog Number:
AG001Z6Z
Molecular Formula:
C18H22N2O6S
Molecular Weight:
394.4421
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Product Description
Catalog Number:
AG001Z6Z
Chemical Name:
Glycine, glycyl-, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
CAS Number:
1738-82-5
Molecular Formula:
C18H22N2O6S
Molecular Weight:
394.4421
MDL Number:
MFCD00050678
IUPAC Name:
benzyl 2-[(2-aminoacetyl)amino]acetate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C11H14N2O3.C7H8O3S/c12-6-10(14)13-7-11(15)16-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)
InChI Key:
RWBJLSORGVEMHA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.NCC(=O)NCC(=O)OCc1ccccc1
NSC Number:
356835
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.12g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
394.442g/mol
Monoisotopic Mass:
394.12g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties