L-4-Benzoylphenylalanine

C16H15NO3CAS 104504-45-2269.30 g/mol

Open in Covalent MOL file
OOOHH2N
Carboxylic acidKetonePrimary amine

Properties

Molecular formula
C16H15NO3
Molar mass
269.30 g/mol
Exact mass
269.1052 Da
logP
1.87Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Similar compounds

DL-Phenylalanine150-30-174 % similar Phenylalanine63-91-274 % similar D-Phenylalanine673-06-374 % similar L-4,4'-Biphenylalanine155760-02-471 % similar D-4,4'-Biphenylalanine170080-13-471 % similar D-Tyrosine556-02-563 % similar DL-Tyrosine556-03-663 % similar Tyrosine60-18-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid21752-36-3 Benzoyl-L-phenylalanine2566-22-5 N-Benzoyl-DL-phenylalanine2901-76-0 4-(2-Methylbenzoylamino)-2-methylbenzoic acid317374-08-6

Elsewhere

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