L-4-Benzoylphenylalanine

C₁₆H₁₅NO₃CAS 104504-45-2269.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₅NO₃
Molar mass: 269.30 g/mol
Exact mass: 269.1052 Da
logP: 1.87Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Identifiers

CAS number

104504-45-2

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)N

InChIKey

TVIDEEHSOPHZBR-AWEZNQCLSA-N

InChI

InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1

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Names and synonyms

1 names

p-Benzoyl-L-phenylalanine

Work with L-4-Benzoylphenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(-)-N-(α-Methylbenzyl)phthalic acid monoamide21752-36-3 Benzoyl-L-phenylalanine2566-22-5 N-Benzoyl-dl-phenylalanine2901-76-0 4-(2-Methylbenzoylamino)-2-methylbenzoic acid317374-08-6

Elsewhere

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