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Carboxypeptidase G2 Inhibitor

CAS No.:
192203-60-4
Catalog Number:
AG00ABJE
Molecular Formula:
C13H15NO6S
Molecular Weight:
313.3263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
97%
1 week
United States
$1390
- +
100mg
97%
1 week
United States
$1907
- +
Product Description
Catalog Number:
AG00ABJE
Chemical Name:
Carboxypeptidase G2 Inhibitor
CAS Number:
192203-60-4
Molecular Formula:
C13H15NO6S
Molecular Weight:
313.3263
MDL Number:
MFCD16039212
IUPAC Name:
(2S)-2-[(4-methoxyphenyl)sulfanylcarbonylamino]pentanedioic acid
InChI:
InChI=1S/C13H15NO6S/c1-20-8-2-4-9(5-3-8)21-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1
InChI Key:
OBCGYIKABKFIQB-JTQLQIEISA-N
SMILES:
COc1ccc(cc1)SC(=O)NC(C(=O)O)CCC(=O)O
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
313.062g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
313.324g/mol
Monoisotopic Mass:
313.062g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties