O-Benzyl-L-tyrosine benzyl ester hydrochloride

C₂₃H₂₄ClNO₃CAS 52142-01-5397.90 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₂₃H₂₄ClNO₃
Molar mass: 397.90 g/mol
Exact mass: 397.1445 Da
logP: 4.30Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Hazards

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

Identifiers

CAS number

52142-01-5

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)OCC3=CC=CC=C3)N.Cl

InChIKey

DYLKTBYVTWFYGQ-FTBISJDPSA-N

InChI

InChI=1S/C23H23NO3.ClH/c24-22(23(25)27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19;/h1-14,22H,15-17,24H2;1H/t22-;/m0./s1

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Work with O-Benzyl-L-tyrosine benzyl ester hydrochloride

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

Phenylalanine benzyl ester hydrochloride2462-32-083 % similar H-Tyr(bzl)-OMe.HCl34805-17-978 % similar O-Benzyl-L-tyrosine16652-64-564 % similar D-Serine benzyl ester hydrochloride151651-44-463 % similar Phenylalanine ethyl ester hydrochloride3182-93-263 % similar L-Serine benzyl ester hydrochloride60022-62-063 % similar H-D-Phe-oet hcl63060-94-663 % similar Dibenzyl L-glutamate hydrochloride4561-10-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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