O-Benzyl-L-tyrosine benzyl ester hydrochloride

C23H24ClNO3CAS 52142-01-5397.90 g/mol

Open in Covalent MOL file
OOONH2HCl
EsterEtherPrimary 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 Ų
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.

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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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