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151656-28-9 | Glycine,N-[N-[(4-methylphenyl)sulfonyl]-L-threonyl]-, methyl ester (9CI)
CAS No: 151656-28-9 Catalog No: AG007WWG MDL No:
Product Description
Catalog Number:
AG007WWG
Chemical Name:
Glycine,N-[N-[(4-methylphenyl)sulfonyl]-L-threonyl]-, methyl ester (9CI)
CAS Number:
151656-28-9
Molecular Formula:
C14H20N2O6S
Molecular Weight:
344.3834
IUPAC Name:
methyl 2-[[(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]acetate
InChI:
InChI=1S/C14H20N2O6S/c1-9-4-6-11(7-5-9)23(20,21)16-13(10(2)17)14(19)15-8-12(18)22-3/h4-7,10,13,16-17H,8H2,1-3H3,(H,15,19)/t10?,13-/m0/s1
InChI Key:
SPMGWNOTIGDXNW-HQVZTVAUSA-N
SMILES:
COC(=O)CNC(=O)[C@H]([C@H](O)C)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
344.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
344.382g/mol
Monoisotopic Mass:
344.104g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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