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1314751-85-3 | Glycine, N-[(2S)-2-[[(methylsulfonyl)oxy]methyl]-1-oxo-3-phenylpropyl]-, ethyl ester
CAS No: 1314751-85-3 Catalog No: AG000W95 MDL No:
Product Description
Catalog Number:
AG000W95
Chemical Name:
Glycine, N-[(2S)-2-[[(methylsulfonyl)oxy]methyl]-1-oxo-3-phenylpropyl]-, ethyl ester
CAS Number:
1314751-85-3
Molecular Formula:
C15H21NO6S
Molecular Weight:
343.3953
IUPAC Name:
ethyl 2-[[(2S)-2-benzyl-3-methylsulfonyloxypropanoyl]amino]acetate
InChI:
InChI=1S/C15H21NO6S/c1-3-21-14(17)10-16-15(18)13(11-22-23(2,19)20)9-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,18)/t13-/m0/s1
InChI Key:
DXQVFSHKIICNIO-ZDUSSCGKSA-N
SMILES:
CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)COS(=O)(=O)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.394g/mol
Monoisotopic Mass:
343.109g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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