Home Other Building Blocks Cc0651

Cc0651

CAS No.:
1319207-44-7
Catalog Number:
AG009CAA
Molecular Formula:
C20H21Cl2NO6
Molecular Weight:
442.2898
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$973
- +
5mg
99%
1 week
United States
$1690
- +
10mg
99%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG009CAA
Chemical Name:
Cc0651
CAS Number:
1319207-44-7
Molecular Formula:
C20H21Cl2NO6
Molecular Weight:
442.2898
MDL Number:
MFCD25976705
IUPAC Name:
(2R,3S,4S)-5-[4-(3,5-dichlorophenyl)phenyl]-2,3-dihydroxy-4-[(2-methoxyacetyl)amino]pentanoic acid
InChI:
InChI=1S/C20H21Cl2NO6/c1-29-10-17(24)23-16(18(25)19(26)20(27)28)6-11-2-4-12(5-3-11)13-7-14(21)9-15(22)8-13/h2-5,7-9,16,18-19,25-26H,6,10H2,1H3,(H,23,24)(H,27,28)/t16-,18-,19+/m0/s1
InChI Key:
NTCBTNCWNRCBGX-YTQUADARSA-N
SMILES:
COCC(=O)N[C@H]([C@@H]([C@H](C(=O)O)O)O)Cc1ccc(cc1)c1cc(Cl)cc(c1)Cl
Properties
Complexity:
533  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
441.075g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
442.289g/mol
Monoisotopic Mass:
441.075g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
An allosteric inhibitor of the human Cdc34 ubiquitin-conjugating enzyme. Cell 20110624
Properties