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PS 915

CAT: 0931-T24674-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T24674-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86356-77-6
Target
Thrombin, Others
Related Pathways
Proteases/Proteasome, Others
Bioactivity
PS 915 is a substrate for colorimetric assay. It was used for plasma antithrombin.
Smiles
Cl.N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(O)c(c1)C(O)=O
Molecular Formula
C27H36ClN7O6
Molecular Weight
590.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PS 915

substrate for colorimetric assay for plasma antithrombin; RN given refers to di-HCl

CAS Number86356-77-6
PubChem CID135201
IUPAC Name5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-hydroxybenzoic acid;dihydrochloride
Molecular FormulaC27H37Cl2N7O6
Molecular Weight626.5
Topological Polar Surface Area226
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity921
SMILES
C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)NC(=O)[C@H](CCCN=C(N)N)NC3=CC(=C(C=C3)O)C(=O)O.Cl.Cl
InChI
InChI=1S/C27H35N7O6.2ClH/c28-19(14-16-6-2-1-3-7-16)25(38)34-13-5-9-21(34)24(37)33-23(36)20(8-4-12-31-27(29)30)32-17-10-11-22(35)18(15-17)26(39)40;;/h1-3,6-7,10-11,15,19-21,32,35H,4-5,8-9,12-14,28H2,(H,39,40)(H4,29,30,31)(H,33,36,37);2*1H/t19-,20+,21+;;/m1../s1
InChIKey
QAFVSHNTKNYPID-WOSURGFKSA-N
Chemical Structure
2D Structure
2D structure of PS 915
CAS: 86356-77-6
CID: 135201
Formula: C27H37Cl2N7O6
MW: 626.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass625.2182373
Monoisotopic Mass625.2182373
Topological Polar Surface Area226 Ų
Heavy Atom Count42
Formal Charge0
Complexity921
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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