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Chemical structure of Ac-Ala-Ala-Ser(PO₃H₂)-Pro-Arg-pNA

GA20470

Ac-Ala-Ala-Ser(PO₃H₂)-Pro-Arg-pNA

Also known as [(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxopropyl] dihydrogen phosphate

Ac-AApSPR-pNA, excellent chromogenic substrate for the human peptidyl-prolyl cis/trans isomerase Pin1 (kcat/Km = 9300 mM?¹s?¹) and its yeast homolog Ess1 (kcat/Km = 12000 mM?¹s?¹)

ChemicalCAS202739-37-5MW742.68FormulaC28H43N10O12P
CAS number
202739-37-5
Molecular weight
742.68
Formula
C28H43N10O12P
Solubility
Soluble in DMSO
InChIKey
NBXGKBASYKEBOZ-OPXVNJCFSA-N
Catalogue number
GA20470
Brand
GLPBIO
Computed properties PubChem CID 125183009 · XLogP -3.4 · TPSA 343 Ų · H-bond donors 9
XLogP
-3.4
TPSA
343 Ų
H-bond donors
9
H-bond acceptors
13
Rotatable bonds
17
Heavy atoms
51

SMILES C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C

Computed descriptors from PubChem (CID 125183009), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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