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300355-20-8 | (R)-4-benzyl-3-((S)-3-cyclopentyl-2-(4-(methylsulfonyl)phenyl)propanoyl)oxazolidin-2-one
CAS No: 300355-20-8 Catalog No: AG01D8OX MDL No:
Product Description
Catalog Number:
AG01D8OX
Chemical Name:
(R)-4-benzyl-3-((S)-3-cyclopentyl-2-(4-(methylsulfonyl)phenyl)propanoyl)oxazolidin-2-one
CAS Number:
300355-20-8
Molecular Formula:
C25H29NO5S
Molecular Weight:
455.5665
IUPAC Name:
4-benzyl-3-[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C25H29NO5S/c1-32(29,30)22-13-11-20(12-14-22)23(16-19-9-5-6-10-19)24(27)26-21(17-31-25(26)28)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,19,21,23H,5-6,9-10,15-17H2,1H3
InChI Key:
GVUJBZVCKZYXSO-UHFFFAOYSA-N
SMILES:
O=C([C@H](c1ccc(cc1)S(=O)(=O)C)CC1CCCC1)N1[C@@H](COC1=O)Cc1ccccc1
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.177g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.569g/mol
Monoisotopic Mass:
455.177g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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