Home Sulfos (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine n-acetyl-l-leucine salt

(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine n-acetyl-l-leucine salt

CAS No.:
608141-43-1
Catalog Number:
AG00IAR8
Molecular Formula:
C20H34N2O7S
Molecular Weight:
446.5582
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$23
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Product Description
Catalog Number:
AG00IAR8
Chemical Name:
(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine n-acetyl-l-leucine salt
CAS Number:
608141-43-1
Molecular Formula:
C20H34N2O7S
Molecular Weight:
446.5582
MDL Number:
MFCD28167941
IUPAC Name:
(2S)-2-acetamido-4-methylpentanoic acid;(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
InChI:
InChI=1S/C12H19NO4S.C8H15NO3/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15;1-5(2)4-7(8(11)12)9-6(3)10/h5-7,10H,4,8,13H2,1-3H3;5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t10-;7-/m10/s1
InChI Key:
KJZXYHPZWRDLAR-JIJBYVMQSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)C)C.CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N
Properties
Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
446.209g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
446.559g/mol
Monoisotopic Mass:
446.209g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties