200,000+ products from a single source!
sales@angenechem.com
10061-65-1 | Propanamide, 2-(acetylamino)-3-mercapto-N-methyl-, (2R)-
CAS No: 10061-65-1 Catalog No: AG0002HK MDL No:
Product Description
Catalog Number:
AG0002HK
Chemical Name:
Propanamide, 2-(acetylamino)-3-mercapto-N-methyl-, (2R)-
CAS Number:
10061-65-1
Molecular Formula:
C6H12N2O2S
Molecular Weight:
176.2367
IUPAC Name:
(2R)-2-acetamido-N-methyl-3-sulfanylpropanamide
InChI:
InChI=1S/C6H12N2O2S/c1-4(9)8-5(3-11)6(10)7-2/h5,11H,3H2,1-2H3,(H,7,10)(H,8,9)/t5-/m0/s1
InChI Key:
RAHKYMLIVZZMIH-YFKPBYRVSA-N
SMILES:
SC[C@@H](C(=O)NC)NC(=O)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.062g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.234g/mol
Monoisotopic Mass:
176.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT. | Dalton transactions (Cambridge, England : 2003) 20100621 |
| An exhaustive conformational analysis of N-acetyl-L-cysteine-N-methylamide. Identification of the complete set of interconversion pathways on the ab initio and DFT potential energy hypersurface. | The journal of physical chemistry. A 20050210 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.