Boc-MeTyr(tBu)-OH

C₁₉H₂₉NO₅CAS 66638-37-7351.44 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₉H₂₉NO₅
Molar mass: 351.44 g/mol
Exact mass: 351.2046 Da
logP: 3.73Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 4
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. Search the SDS library

Identifiers

CAS number

66638-37-7

SMILES

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O

InChIKey

KLLSBINBQFCWME-HNNXBMFYSA-N

InChI

InChI=1S/C19H29NO5/c1-18(2,3)24-14-10-8-13(9-11-14)12-15(16(21)22)20(7)17(23)25-19(4,5)6/h8-11,15H,12H2,1-7H3,(H,21,22)/t15-/m0/s1

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Names and synonyms

2 names

N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-N-methyl-L-tyrosine
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-N-methyl-

Work with Boc-MeTyr(tBu)-OH

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

Boc-MeTyr-OH82038-34-479 % similar Boc-N-methyl-L-phenylalanine37553-65-477 % similar N-Boc-N-methyl-D-phenylalanine85466-66-677 % similar N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine64263-81-675 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-tyrosine133373-24-769 % similar Boc-D-N-me-phe DCHA102185-45-565 % similar Boc-N-me-phe DCHA40163-88-065 % similar Boc-N-me-ser-oh101772-29-660 % similar

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

Elsewhere

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