Home Carboxys (6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS No.:
54639-48-4
Catalog Number:
AG00I9RH
Molecular Formula:
C28H24N2O5S
Molecular Weight:
500.5656
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$155
- +
5g
98%(HPLC)
In Stock USA
United States
$371
- +
25g
98%(HPLC)
In Stock USA
United States
$905
- +
Product Description
Catalog Number:
AG00I9RH
Chemical Name:
(6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Number:
54639-48-4
Molecular Formula:
C28H24N2O5S
Molecular Weight:
500.5656
MDL Number:
MFCD00191259
IUPAC Name:
benzhydryl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI:
InChI=1S/C28H24N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,25,27,31H,16-17H2,(H,29,32)/t23-,27-/m1/s1
InChI Key:
HJINVAQLVZRFTL-YIXXDRMTSA-N
SMILES:
O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(c1ccccc1)c1ccccc1)O)Cc1ccccc1
Properties
Complexity:
840  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
500.141g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
500.569g/mol
Monoisotopic Mass:
500.141g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties