CAS 41748-47-4

Benzoic acid, 4-[[2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-, monosodium salt, (S)-

Description:

Benzoic acid, 4-[[2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-, monosodium salt, (S)-, is a complex organic compound characterized by its structural features that include a benzoic acid moiety and an amino acid derivative. This compound is typically a white to off-white solid that is soluble in water, reflecting its ionic nature due to the presence of the monosodium salt. The presence of the hydroxyl group contributes to its potential for hydrogen bonding, enhancing solubility and reactivity. It exhibits properties typical of both benzoic acid derivatives and amino acids, making it relevant in biochemical applications, particularly in pharmaceuticals and as a potential intermediate in organic synthesis. The (S)- configuration indicates its specific stereochemistry, which can influence its biological activity and interactions. Overall, this compound's unique structure and properties make it of interest in various fields, including medicinal chemistry and biochemistry.

Formula: C₂₃H₂₀N₂O₅·Na

InChI: InChI=1S/C23H20N2O5.Na/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30;/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30);/t20-;/m0./s1

InChI key: InChIKey=HIDZGPZWPJGDDC-BDQAORGHSA-N

SMILES: [C@H](CC1=CC=C(O)C=C1)(C(NC2=CC=C(C(O)=O)C=C2)=O)NC(=O)C3=CC=CC=C3.[Na]

Synonyms:

• Benzoic acid, 4-[[2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-, monosodium salt, (S)-
• N-Benzoyl-<span class="text-smallcaps">L</span>-tyrosyl-p-aminobenzoic acid sodium salt
• Sodium N-benzoyl-<span class="text-smallcaps">L</span>-tyrosyl-p-aminobenzoate
• sodium 4-{[N-(phenylcarbonyl)tyrosyl]amino}benzoate
• Sodium (S)-4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoate
• Sodium N-benzoyl-L-tyrosyl-p-aminobenzoate
• N-Benzoyl-L-tyrosyl-p-aminobenzoic acid sodium salt

Bentiromide Sodium Salt

Controlled Product

CAS: 41748-47-4

Formula: C₂₃H₁₉N₂NaO₅

Color and Shape: Neat

Molecular weight: 426.4

Ref: TR-B130465

Bz-Tyr-4-Abz-OH·sodium salt

CAS: 41748-47-4

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Formula: C₂₃H₁₉N₂NaO₅

Purity: Min. 95%

Molecular weight: 426.4 g/mol

Ref: 3D-FB110838