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Dacisteine

CAT: 0931-T15047-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T15047-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18725-37-6
Target
Others, Endogenous Metabolite
Related Pathways
Others, Metabolism
Purity
0.9971
Bioactivity
Dacisteine (N, S-Diacetyl-L-cysteine) is an inhibitor of New Delhi metallo-beta-lactamase-1 (NDM-1) with an IC50 of 1000 μM.
Smiles
CC(=O)N[C@@H](CSC(C)=O)C(O)=O
Molecular Formula
C7H11NO4S
Molecular Weight
205.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N,S-Diacetylcysteine

Dacisteine is a N-acyl-L-amino acid.

CAS Number18725-37-6
PubChem CID65690
IUPAC Name(2R)-2-acetamido-3-acetylsulfanylpropanoic acid
Molecular FormulaC7H11NO4S
Molecular Weight205.23
XLogP-0.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity229
SMILES
CC(=O)N[C@@H](CSC(=O)C)C(=O)O
InChI
InChI=1S/C7H11NO4S/c1-4(9)8-6(7(11)12)3-13-5(2)10/h6H,3H2,1-2H3,(H,8,9)(H,11,12)/t6-/m0/s1
InChIKey
HSPYGHDTVQJUDE-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of N,S-Diacetylcysteine
CAS: 18725-37-6
CID: 65690
Formula: C7H11NO4S
MW: 205.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.23
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass205.04087901
Monoisotopic Mass205.04087901
Topological Polar Surface Area109 Ų
Heavy Atom Count13
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
581184Dacisteine
HY-121765R-01Dacisteine (Standard)

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