5913-76-8 Purity
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Specification
The molecular formula is C33H39ClN8O6.
The molecular weight is 679.2 g/mol.
The synonyms include Bz-Pro-Phe-Arg-Pna hydrochloride and 59188-28-2.
The structure is represented by the IUPAC name: (2S)-1-benzoyl-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.
It was created on 2012-12-01 and modified on 2023-12-30.
The Canonical SMILES is C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-].Cl.
It has 6 hydrogen bond donors.
The topological polar surface area is 218 2.
It has 3 defined atom stereocenter counts.
There are 2 covalently-bonded units.