H-Tyr(bzl)-OMe.HCl

C₁₇H₂₀ClNO₃CAS 34805-17-9321.80 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₁₇H₂₀ClNO₃
Molar mass: 321.80 g/mol
Exact mass: 321.1132 Da
logP: 2.73Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

34805-17-9

SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)N.Cl

InChIKey

IQKXGACPIPNLEL-NTISSMGPSA-N

InChI

InChI=1S/C17H19NO3.ClH/c1-20-17(19)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;/h2-10,16H,11-12,18H2,1H3;1H/t16-;/m0./s1

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Names and synonyms

1 names

O-Benzyl-L-tyrosine methyl ester hydrochloride

Work with H-Tyr(bzl)-OMe.HCl

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

Methyl (R)-phenylalaninate hydrochloride13033-84-679 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-879 % similar Methyl L-phenylalaninate hydrochloride7524-50-779 % similar Phenylalanine methyl ester2577-90-471 % similar O-Benzyl-L-serine methyl ester hydrochloride19525-87-265 % similar Methyl (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride51482-39-464 % similar Phenylalanine benzyl ester hydrochloride2462-32-063 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-163 % similar

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

Same formula

Apomorphine hydrochloride hemihydrate41372-20-7

Elsewhere

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