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16748-73-5 | Butanediamide, 2-amino-, (2S)-
CAS No: 16748-73-5 Catalog No: AG001XF0 MDL No:
Product Description
Catalog Number:
AG001XF0
Chemical Name:
Butanediamide, 2-amino-, (2S)-
CAS Number:
16748-73-5
Molecular Formula:
C4H9N3O2
Molecular Weight:
131.1332
IUPAC Name:
(2S)-2-aminobutanediamide
InChI:
InChI=1S/C4H9N3O2/c5-2(4(7)9)1-3(6)8/h2H,1,5H2,(H2,6,8)(H2,7,9)/t2-/m0/s1
InChI Key:
DSLBDPPHINVUID-REOHCLBHSA-N
SMILES:
NC(=O)C[C@@H](C(=O)N)N
UNII:
P342G15XO5
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
131.069g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
131.135g/mol
Monoisotopic Mass:
131.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Literature
| Title | Journal |
|---|---|
| Impaired CK1 delta activity attenuates SV40-induced cellular transformation in vitro and mouse mammary carcinogenesis in vivo. | PloS one 20120101 |
| Autocatalytic intramolecular isopeptide bond formation in gram-positive bacterial pili: a QM/MM simulation. | Journal of the American Chemical Society 20110126 |
| Deamidation of asparagine residues: direct hydrolysis versus succinimide-mediated deamidation mechanisms. | The journal of physical chemistry. A 20090212 |
| Amide inequivalence in the fibrillar assembly of islet amyloid polypeptide. | Protein engineering, design & selection : PEDS 20080301 |
| Nitrogen metabolism of asparagine and glutamate in Vero cells studied by (1)H/ (15)N NMR spectroscopy. | Applied microbiology and biotechnology 20071101 |
| Structural basis of the water-assisted asparagine recognition by asparaginyl-tRNA synthetase. | Journal of molecular biology 20060707 |
| Design of inhibitors of scytalone dehydratase: probing interactions with an asparagine carboxamide. | Bioorganic & medicinal chemistry 20021201 |
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