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15985-39-4 | Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-
CAS No: 15985-39-4 Catalog No: AG001RGK MDL No:MFCD00002621
Product Description
Catalog Number:
AG001RGK
Chemical Name:
Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-
CAS Number:
15985-39-4
Molecular Formula:
C5H12N2O3S
Molecular Weight:
180.2254
MDL Number:
MFCD00002621
IUPAC Name:
(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid
InChI:
InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1
InChI Key:
SXTAYKAGBXMACB-DPVSGNNYSA-N
SMILES:
OC(=O)[C@H](CCS(=O)(=N)C)N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.057g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Evaluation of the amino acid binding site of Mycobacterium tuberculosis glutamine synthetase for drug discovery. | Bioorganic & medicinal chemistry 20080515 |
| Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. | The Journal of biological chemistry 20020419 |
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