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187324-67-0 | (1S,2R)-2-(N-Benzyl-2,4,6-trimethylphenylsulfonamido)-1-phenylpropyl propionate
CAS No: 187324-67-0 Catalog No: AG003TZF MDL No:
Product Description
Catalog Number:
AG003TZF
Chemical Name:
(1S,2R)-2-(N-Benzyl-2,4,6-trimethylphenylsulfonamido)-1-phenylpropyl propionate
CAS Number:
187324-67-0
Molecular Formula:
C28H33NO4S
Molecular Weight:
479.6309
IUPAC Name:
[(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] propanoate
InChI:
InChI=1S/C28H33NO4S/c1-6-26(30)33-27(25-15-11-8-12-16-25)23(5)29(19-24-13-9-7-10-14-24)34(31,32)28-21(3)17-20(2)18-22(28)4/h7-18,23,27H,6,19H2,1-5H3/t23-,27-/m1/s1
InChI Key:
WNCDSLPLRUHTTL-YIXXDRMTSA-N
SMILES:
CCC(=O)O[C@H]([C@H](N(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccccc1)C)c1ccccc1
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
479.213g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.635g/mol
Monoisotopic Mass:
479.213g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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