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ST-115

CAT: 0931-T70129-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70129-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1840873-90-6
Target
Others
Related Pathways
Others
Bioactivity
ST-115 is a potent and specific inhibitor of aminopeptidase P2. When ST-115 is administered intravenously at the start of reperfusion, it reduces bradykinin degradation. This increases bradykinin's concentration in the capillaries and enhances its protective effects.
Smiles
C(=O)([C@H]1N(C([C@H](CC(C)C)S)=O)C[C@@H](F)C1)N2[C@H](C(=O)N3C[C@H](C(O)=O)CC3)CCC2
Molecular Formula
C21H32FN3O5S
Molecular Weight
457.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3R)-1-[(2S)-1-[(2S,4S)-4-fluoro-1-[(2S)-4-methyl-2-sulfanylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CAS Number1840873-90-6
PubChem CID102514730
IUPAC Name(3R)-1-[(2S)-1-[(2S,4S)-4-fluoro-1-[(2S)-4-methyl-2-sulfanylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
Molecular FormulaC21H32FN3O5S
Molecular Weight457.6
XLogP1.6
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity736
SMILES
CC(C)C[C@@H](C(=O)N1C[C@H](C[C@H]1C(=O)N2CCC[C@H]2C(=O)N3CC[C@H](C3)C(=O)O)F)S
InChI
InChI=1S/C21H32FN3O5S/c1-12(2)8-17(31)20(28)25-11-14(22)9-16(25)19(27)24-6-3-4-15(24)18(26)23-7-5-13(10-23)21(29)30/h12-17,31H,3-11H2,1-2H3,(H,29,30)/t13-,14+,15+,16+,17+/m1/s1
InChIKey
DKBWLNDADVOGHF-XAJHFOFHSA-N
Chemical Structure
2D Structure
2D structure of (3R)-1-[(2S)-1-[(2S,4S)-4-fluoro-1-[(2S)-4-methyl-2-sulfanylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CAS: 1840873-90-6
CID: 102514730
Formula: C21H32FN3O5S
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass457.20467047
Monoisotopic Mass457.20467047
Topological Polar Surface Area99.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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