H-Tyr(tbu)-otbu hcl

C₁₇H₂₈ClNO₃CAS 17083-23-7329.87 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₁₇H₂₈ClNO₃
Molar mass: 329.87 g/mol
Exact mass: 329.1758 Da
logP: 3.50Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

17083-23-7

SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)OC(C)(C)C)N.Cl

InChIKey

ZAHGOULTAJWDGV-UQKRIMTDSA-N

InChI

InChI=1S/C17H27NO3.ClH/c1-16(2,3)20-13-9-7-12(8-10-13)11-14(18)15(19)21-17(4,5)6;/h7-10,14H,11,18H2,1-6H3;1H/t14-;/m0./s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride

Work with H-Tyr(tbu)-otbu 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 (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride51482-39-480 % similar (S)-Phenylalanine tert-butyl ester hydrochloride15100-75-174 % similar tert-Butyl (2R)-2-amino-3-phenylpropanoate hydrochloride3403-25-674 % similar L-Tyrosine 1,1-dimethylethyl ester16874-12-767 % similar H-D-Tyr(tbu)-oh186698-58-863 % similar O-tert-Butyl-L-tyrosine18822-59-863 % similar L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-552 % similar H-D-Leu-otbu hcl13081-32-852 % similar

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

Same formula

Pramoxine hydrochloride637-58-1

Elsewhere

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