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128435-42-7 | Butanoic acid, 4,4'-dithiobis[2-amino-, 1,1'-dimethyl ester, (2S,2'S)-
CAS No: 128435-42-7 Catalog No: AG000Y38 MDL No:
Product Description
Catalog Number:
AG000Y38
Chemical Name:
Butanoic acid, 4,4'-dithiobis[2-amino-, 1,1'-dimethyl ester, (2S,2'S)-
CAS Number:
128435-42-7
IUPAC Name:
methyl 2-amino-4-[[(3S)-3-amino-4-methoxy-4-oxobutyl]disulfanyl]butanoate
InChI:
InChI=1S/C10H20N2O4S2/c1-15-9(13)7(11)3-5-17-18-6-4-8(12)10(14)16-2/h7-8H,3-6,11-12H2,1-2H3/t7-,8?/m0/s1
InChI Key:
XCVQQXLYZPOPIJ-JAMMHHFISA-N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.4g/mol
Monoisotopic Mass:
296.086g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Potent transglutaminase inhibitors, dithio β-aminoethyl ketones. | Bioorganic & medicinal chemistry letters 20110101 |
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