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Home Carbonyls (2S)-Methyl 2-(((benzyloxy)carbonyl)(prop-2-yn-1-yl)amino)-4-(methylsulfinyl)butanoate

(2S)-Methyl 2-(((benzyloxy)carbonyl)(prop-2-yn-1-yl)amino)-4-(methylsulfinyl)butanoate

CAS No.:
792948-19-7
Catalog Number:
AG01DFOK
Molecular Formula:
C17H21NO5S
Molecular Weight:
351.4173
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
5g
95%
In Stock USA
United States
$1764
- +
Product Description
Catalog Number:
AG01DFOK
Chemical Name:
(2S)-Methyl 2-(((benzyloxy)carbonyl)(prop-2-yn-1-yl)amino)-4-(methylsulfinyl)butanoate
CAS Number:
792948-19-7
Molecular Formula:
C17H21NO5S
Molecular Weight:
351.4173
MDL Number:
MFCD30471810
IUPAC Name:
methyl (2S)-4-methylsulfinyl-2-[phenylmethoxycarbonyl(prop-2-ynyl)amino]butanoate
InChI:
InChI=1S/C17H21NO5S/c1-4-11-18(15(16(19)22-2)10-12-24(3)21)17(20)23-13-14-8-6-5-7-9-14/h1,5-9,15H,10-13H2,2-3H3/t15-,24?/m0/s1
InChI Key:
WWDPVYKBXQOQAG-FZADBTJQSA-N
SMILES:
C#CCN([C@H](C(=O)OC)CCS(=O)C)C(=O)OCc1ccccc1
Properties
Complexity:
493  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
351.114g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.417g/mol
Monoisotopic Mass:
351.114g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties