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144616-07-9

144616-07-9 | Glycine, N-[2-(benzoylthio)acetyl]glycyl-

CAS No: 144616-07-9 Catalog No: AG001JUR MDL No:

Product Description

Catalog Number:
AG001JUR
Chemical Name:
Glycine, N-[2-(benzoylthio)acetyl]glycyl-
CAS Number:
144616-07-9
Molecular Formula:
C13H14N2O5S
Molecular Weight:
310.3257
IUPAC Name:
2-[[2-[(2-benzoylsulfanylacetyl)amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C13H14N2O5S/c16-10(15-7-12(18)19)6-14-11(17)8-21-13(20)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,17)(H,15,16)(H,18,19)
InChI Key:
WTHKHPVEXPPSMT-UHFFFAOYSA-N
SMILES:
O=C(CSC(=O)c1ccccc1)NCC(=O)NCC(=O)O

Properties

Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.062g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
310.324g/mol
Monoisotopic Mass:
310.062g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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