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Chemical structure of H-Pro-Thr-Glu-Phe-p-nitro-Phe-Arg-Leu-OH

GA22869

H-Pro-Thr-Glu-Phe-p-nitro-Phe-Arg-Leu-OH

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid

The p-nitrophenylalanine-containing substrate PTEF-Nph-RL has been developed for a convenient assay of pepsin and other aspartic proteinases of animal and microbial origin· It is soluble over a wide pH range, with the Km values showing only little variation (Km = 80 µM at pH 3·1 and 37°C for porcine pepsin)

ChemicalCAS90331-82-1MW954.05FormulaC44H63N11O13
CAS number
90331-82-1
Molecular weight
954.05
Formula
C44H63N11O13
Solubility
Soluble in DMSO
InChIKey
OHIZVORKJVKXKL-RLEGQPMYSA-N
Catalogue number
GA22869
Brand
GLPBIO
Computed properties PubChem CID 146156 · XLogP -1.9 · TPSA 392 Ų · H-bond donors 12
XLogP
-1.9
TPSA
392 Ų
H-bond donors
12
H-bond acceptors
15
Rotatable bonds
27
Heavy atoms
68

SMILES C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]3CCCN3)O

Computed descriptors from PubChem (CID 146156), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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