N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-D-tyrosine

C₁₆H₂₃NO₅CAS 76757-92-1309.36 g/mol

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Carboxylic acid Ether

Properties

Molecular formula: C₁₆H₂₃NO₅
Molar mass: 309.36 g/mol
Exact mass: 309.1576 Da
Melting point: 80–81 °C
logP: 2.81Crippen estimate
Polar surface area: 88.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

76757-92-1

SMILES

CCOc1ccc(C[C@@H](N=C(O)OC(C)(C)C)C(=O)O)cc1

InChIKey

NCLAAKQIHUIOIV-CYBMUJFWSA-N

InChI

InChI=1S/C16H23NO5/c1-5-21-12-8-6-11(7-9-12)10-13(14(18)19)17-15(20)22-16(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1

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Names and synonyms

2 names

D-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-ethyl-
(2R)-3-(4-Ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-D-tyrosine

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

N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine2130-96-375 % similar Boc-L-tyrosine3978-80-173 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-872 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-971 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-271 % similar N-(tert-Butoxycarbonyl)-D-4-chlorophenylalanine57292-44-171 % similar (2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-271 % similar N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine62129-44-671 % similar

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

Same formula

N-tert-Butoxycarbonyl-O-benzylthreonine15260-10-3 N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-L-tyrosine76757-91-0

Elsewhere

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