chempirical

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

C19H29NO5CAS 66638-37-7351.44 g/mol

Open in Covalent MOL file
NOOOOHO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C19H29NO5
Molar mass
351.44 g/mol
Exact mass
351.2046 Da
logP
3.73Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

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

1 names
  • L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-N-methyl-

Work with N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-N-methyl-L-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]-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-ser-oh101772-29-660 % similar O-tert-Butyl-L-tyrosine18822-59-858 % similar Boc-D-tic-oh115962-35-150 % similar (S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid1129634-44-149 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-247 % similar

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

Elsewhere

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