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Home > Nitro Compounds > 79546-55-7
79546-55-7 | L-Alanine,3-[(3-nitro-2-pyridinyl)dithio]-
CAS No: 79546-55-7 Catalog No: AG005JC1 MDL No:
Product Description
Catalog Number:
AG005JC1
Chemical Name:
L-Alanine,3-[(3-nitro-2-pyridinyl)dithio]-
CAS Number:
79546-55-7
Molecular Formula:
C8H9N3O4S2
Molecular Weight:
275.3048
IUPAC Name:
(2R)-2-amino-3-[(3-nitropyridin-2-yl)disulfanyl]propanoic acid
InChI:
InChI=1S/C8H9N3O4S2/c9-5(8(12)13)4-16-17-7-6(11(14)15)2-1-3-10-7/h1-3,5H,4,9H2,(H,12,13)/t5-/m0/s1
InChI Key:
SOGTULYCPNFAGT-YFKPBYRVSA-N
SMILES:
OC(=O)[C@H](CSSc1ncccc1[N+](=O)[O-])N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.003g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.297g/mol
Monoisotopic Mass:
275.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
Literature
| Title | Journal |
|---|---|
| Relative DNA binding affinity of helix 3 homeodomain analogues, major groove binders, can be rapidly screened by displacement of prebound ethidium bromide. A comparative study. | Organic & biomolecular chemistry 20040321 |
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