Fmoc-tyr(3,5-I2)-OH

C₂₄H₁₉I₂NO₅CAS 103213-31-6655.23 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid Phenol

Properties

Molecular formula: C₂₄H₁₉I₂NO₅
Molar mass: 655.23 g/mol
Exact mass: 654.9353 Da
logP: 5.14Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

103213-31-6

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C(=C4)I)O)I)C(=O)O

InChIKey

IKNWCIROCRMKAY-NRFANRHFSA-N

InChI

InChI=1S/C24H19I2NO5/c25-19-9-13(10-20(26)22(19)28)11-21(23(29)30)27-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21,28H,11-12H2,(H,27,31)(H,29,30)/t21-/m0/s1

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Names and synonyms

1 names

Fmoc-3,5-diiodo-L-tyrosine

Work with Fmoc-tyr(3,5-I2)-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

Fmoc-D-tyr-oh112883-29-171 % similar Fmoc-phe(3,5-F2)-OH205526-24-571 % similar Fmoc-L-3,4,5-trifluorophenylalanine205526-30-368 % similar Fmoc-2-nal-oh112883-43-968 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-468 % similar Fmoc-3-(4-pyridyl)-L-alanine169555-95-767 % similar Fmoc-L-4,4'-biphenylalanine199110-64-067 % similar Fmoc-D-4-pyridylalanine205528-30-967 % similar

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

Elsewhere

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