N-Benzoylphenylalanylphenylalinol acetate

Catalog Number	ACM56121427
CAS Number	56121-42-7
Synonyms	[(2S)-2-[(2-Benzamido-3-phenyl-propanoyl)amino]-3-phenyl-propyl] acetate
Molecular Weight	444.5
InChI	InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25/m0/s1
InChI Key	VZPAURMDJZOGHU-SKCDSABHSA-N
Purity	95%+
Complexity	620
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	444.20490738
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
Monoisotopic Mass	444.20490738
PhysicalState	Powder
Rotatable Bond Count	11
Topological Polar Surface Area	84.5 Ų

Custom Q&A

What is the chemical formula of N-benzoylphenylalanylphenylalinol acetate?

The chemical formula is C27H28N2O4.

What is the molecular weight of N-benzoylphenylalanylphenylalinol acetate?

The molecular weight is 444.52.

What is the boiling point of N-benzoylphenylalanylphenylalinol acetate?

The boiling point is predicted to be 716.1±60.0 °C.

What is the solubility of N-benzoylphenylalanylphenylalinol acetate in DMSO?

It is soluble in DMSO.

How should N-benzoylphenylalanylphenylalinol acetate be stored?

It should be stored at -20°C.

What are some of the synonyms of N-benzoylphenylalanylphenylalinol acetate?

Some synonyms include Asperglaucide, Tifentai, and Aurantiamide acetate.

What are the basic product categories of N-benzoylphenylalanylphenylalinol acetate?

It belongs to the category of alkaloids.

What are some of the potential uses of N-benzoylphenylalanylphenylalinol acetate?

It is a metabolite of Aspergillus glaucus and has antiallergic properties.

What is the melting point of N-benzoylphenylalanylphenylalinol acetate?

The melting point is 182-183.5 °C.

What is the predicted pka value of N-benzoylphenylalanylphenylalinol acetate?

The predicted pka value is 13.30±0.46.

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