Home Carboxys 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-,[[[(2S,5R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]oxy]methylester, (2S,5R,6R)-

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-,[[[(2S,5R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]oxy]methylester, (2S,5R,6R)-

CAS No.:
76497-13-7
Catalog Number:
AG005BLT
Molecular Formula:
C25H30N4O9S2
Molecular Weight:
594.6571
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
96%(HPLC)
In Stock USA
United States
$87
- +
25mg
96%(HPLC)
In Stock USA
United States
$156
- +
100mg
96%(HPLC)
In Stock USA
United States
$434
- +
Product Description
Catalog Number:
AG005BLT
Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-,[[[(2S,5R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]oxy]methylester, (2S,5R,6R)-
CAS Number:
76497-13-7
Molecular Formula:
C25H30N4O9S2
Molecular Weight:
594.6571
MDL Number:
MFCD00864948
IUPAC Name:
[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI:
InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/t14-,15-,16-,17+,18+,21-/m1/s1
InChI Key:
OPYGFNJSCUDTBT-PMLPCWDUSA-N
SMILES:
O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C)(C)C
UNII:
65DT0ML581
Properties
Complexity:
1240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
594.145g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
594.654g/mol
Monoisotopic Mass:
594.145g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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Properties