Basic information
- CAS
86356-77-6- Standard SMILES
Cl.Cl.NC(N)=NCCC[C@H](Nc1ccc(O)c(C(=O)O)c1)C(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1- InChIKey
QAFVSHNTKNYPID-WOSURGFKSA-N- Molecular formula
- C27H37Cl2N7O6
- Average molar mass
- 626.5 g/mol
- Monoisotopic mass
- 625.2182373
Overview
substrate for colorimetric assay for plasma antithrombin; RN given refers to di-HCl
Names & identifiers
- Preferred name
- PS 915
- IUPAC
- 5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-hydroxybenzoic acid;dihydrochloride
- English name
- PS 915
- Molecular formula
- C27H37Cl2N7O6
- Molecular weight
- 626.53198
Names & synonyms
Phe-pro-arg-cha86356-77-6PS 915PS-915RefChem:176780Phenylalanyl-prolyl-arginyl-3-carboxy-4-hydroxyaniline5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-hydroxybenzoic acid;dihydrochlorideSCHEMBL30510664DTXSID301006761L-Argininamide, D-phenylalanyl-L-prolyl-N-(3-carboxy-4-hydroxyphenyl)-, dihydrochlorideD-Phenylalanyl-N-[(2S)-5-(carbamimidoylamino)-2-(3-carboxy-4-hydroxyanilino)-1-hydroxypentylidene]-L-prolinamide--hydrogen chloride (1/2)Phenylalanyl-N-[5-carbamimidamido-2-(3-carboxy-4-hydroxyanilino)-1-hydroxypentylidene]prolinamide--hydrogen chloride (1/2)
Database identifiers
- CAS
86356-77-6- PubChem CID
- 135201
- DTXSID
DTXSID301006761
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 921
Chemistry & industry
Applications
DescriptionPS 915 is a substrate for colorimetric assay for plasma antithrombin.
UsesPS-915 dihydrochloride is a peptide substrate used in a colorimetric assay for plasma antithrombin III (ATIII). PS-915 dihydrochloride is highly specific for thrombin. By enzyme hydrolysis, PS-915 dihydrochloride liberates 3-carboxy-4-hydroxyaniline (CHA), which turns blue in color due to the complex formation with added alkaline-pentacyanoammine ferroate[1].
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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