Boc-3,5-diiodo-L-tyrosine

C14H17I2NO5CAS 62129-53-7533.10 g/mol

Open in Covalent MOL file
OONHIOHIOHO
Aryl halideCarbamateCarboxylic acidPhenol

Properties

Molecular formula
C14H17I2NO5
Molar mass
533.10 g/mol
Exact mass
532.9196 Da
logP
3.12Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
62129-53-7
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O
InChIKey
CTUIJSMDTYBOLW-JTQLQIEISA-N
InChI
InChI=1S/C14H17I2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m0/s1

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Work with Boc-3,5-diiodo-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

Boc-4-iodo-D-phenylalanine176199-35-267 % similar Boc-D-tyr-oh70642-86-367 % similar Boc-D-3,4,5-trifluorophenylalanine205445-55-265 % similar Boc-dl-phe-oh4530-18-165 % similar Fmoc-tyr(3,5-I2)-OH103213-31-663 % similar Boc-L-4-fluorophe41153-30-461 % similar (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-861 % similar Boc-4-amino-L-phenylalanine55533-24-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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