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Estatin B

CAT: 0013-GTR19254574-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254574-02Size:50 mg
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Description
Estatin B is a thiol protease inhibitor that can be found in the thermophilic bacterium M4323, and it exhibits specificity towards thiol proteases such as papain, fig protease, and bromelain. In mice, Estatin B suppresses the production of IgE antibodies without affecting the production of IgG.
CAS Number
106396-24-1
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
O=C (O) C1OC1C (=O) NC (C (=O) NCCCCNC (=N) N) CC2=CC=C (O) C=C2
Molecular Formula
C18H25N5O6
Molecular Weight
407.421
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Estatin B

See also: Estatin B (annotation moved to).

CAS Number106396-24-1
PubChem CID129322
IUPAC Name3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Molecular FormulaC18H25N5O6
Molecular Weight407.4
XLogP-1
Topological Polar Surface Area193
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
C1=CC(=CC=C1CC(C(=O)NCCCCN=C(N)N)NC(=O)C2C(O2)C(=O)O)O
InChI
InChI=1S/C18H25N5O6/c19-18(20)22-8-2-1-7-21-15(25)12(9-10-3-5-11(24)6-4-10)23-16(26)13-14(29-13)17(27)28/h3-6,12-14,24H,1-2,7-9H2,(H,21,25)(H,23,26)(H,27,28)(H4,19,20,22)
InChIKey
IVRMXEFFYRZNCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Estatin B
CAS: 106396-24-1
CID: 129322
Formula: C18H25N5O6
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP3-1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass407.18048353
Monoisotopic Mass407.18048353
Topological Polar Surface Area193 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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