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Soystatin

CAT: 0931-TP2655-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2655-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
510725-34-5
Bioactivity
Soystatin is a novel peptide extracted from soybean protein, primarily known for its ability to inhibit cholesterol absorption. As a peptide with significant bile acid-binding capacity, Soystatin can be utilized in cardiovascular disease research.
Smiles
C([C@H](NC([C@H](CC=1C=2C(NC1)=CC=CC2)NC([C@@H](NC([C@H](C(C)C)N)=O)C)=O)=O)C(N[C@H](C(N[C@@H](CC3=CC=C(O)C=C3)C(O)=O)=O)CCSC)=O)C=4C=5C(NC4)=CC=CC5
Molecular Formula
C44H54N8O8S
Molecular Weight
855.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Soystatin
CAS Number510725-34-5
PubChem CID10056408
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC44H54N8O8S
Molecular Weight855.0
XLogP1.6
Topological Polar Surface Area286
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Heavy Atom Count61
Formal Charge0
Complexity1500
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)O)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C44H54N8O8S/c1-24(2)38(45)43(58)48-25(3)39(54)50-35(20-27-22-46-32-11-7-5-9-30(27)32)42(57)51-36(21-28-23-47-33-12-8-6-10-31(28)33)41(56)49-34(17-18-61-4)40(55)52-37(44(59)60)19-26-13-15-29(53)16-14-26/h5-16,22-25,34-38,46-47,53H,17-21,45H2,1-4H3,(H,48,58)(H,49,56)(H,50,54)(H,51,57)(H,52,55)(H,59,60)/t25-,34-,35-,36-,37-,38-/m0/s1
InChIKey
KPFNYWOBQUAVBG-RFFIAGBUSA-N
Chemical Structure
2D Structure
2D structure of Soystatin
CAS: 510725-34-5
CID: 10056408
Formula: C44H54N8O8S
MW: 855.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight855.0
XLogP31.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Exact Mass854.37853188
Monoisotopic Mass854.37853188
Topological Polar Surface Area286 Ų
Heavy Atom Count61
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19062982-01Soystatin

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