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Tauroxicum

CAT: 0013-GTR19204675-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204675-01Size:1 mg
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Description
Tauroxicum
CAS Number
648922-41-2
Product Name Alternative
Taurox SB, Tauroxicum
Field of Research
Infectious Disease & Virology
Purity
>99.99% (May vary between batches)
Smiles
O=C (NCCC (NCCS (=O) ([O-]) =O) =O) OCC1=CC=CC=C1.[Zn+2]
Molecular Formula
C31H46N8O5
Molecular Weight
610.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zinc carbobenzoxy-beta-alanyltaurinate

See also: Carbobenzoxy-beta-alanyltaurine (has active moiety) ... View More ...

CAS Number648922-41-2
PubChem CID72941842
IUPAC Namezinc bis(2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanesulfonate)
Molecular FormulaC26H34N4O12S2Zn
Molecular Weight724.1
Topological Polar Surface Area266
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count45
Formal Charge0
Complexity440
SMILES
C1=CC=C(C=C1)COC(=O)NCCC(=O)NCCS(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)NCCC(=O)NCCS(=O)(=O)[O-].[Zn+2]
InChI
InChI=1S/2C13H18N2O6S.Zn/c2*16-12(14-8-9-22(18,19)20)6-7-15-13(17)21-10-11-4-2-1-3-5-11;/h2*1-5H,6-10H2,(H,14,16)(H,15,17)(H,18,19,20);/q;;+2/p-2
InChIKey
BUDABWMEOIGHJW-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Zinc carbobenzoxy-beta-alanyltaurinate
CAS: 648922-41-2
CID: 72941842
Formula: C26H34N4O12S2Zn
MW: 724.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight724.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass722.090607
Monoisotopic Mass722.090607
Topological Polar Surface Area266 Ų
Heavy Atom Count45
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T13094-01Tauroxicum

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