chempirical

N-Acetyl-3,5-diiodo-L-tyrosine

C11H11I2NO4CAS 1027-28-7475.02 g/mol

Open in Covalent MOL file
ONHIOHIOHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C11H11I2NO4
Molar mass
475.02 g/mol
Exact mass
474.8778 Da
Melting point
198–200 °C
logP
2.57Crippen estimate
Polar surface area
90.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1027-28-7
SMILES
CC(O)=N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
InChIKey
CDXURJOCZAIXFK-VIFPVBQESA-N
InChI
InChI=1S/C11H11I2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • L-Tyrosine, N-acetyl-3,5-diiodo-
  • Tyrosine, N-acetyl-3,5-diiodo-, L-
  • 3,5-Diiodo-N-acetyl-L-tyrosine
  • NSC 76100
  • N-Acetyl-3,5-diiodotyrosine
  • (2S)-2-Acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

Work with N-Acetyl-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

N-Acetyl-dl-tyrosine2901-77-162 % similar N-Acetyl-L-tyrosine537-55-362 % similar (-)-N-Acetylphenylalanine10172-89-160 % similar N-Acetyl-L-phenylalanine2018-61-360 % similar N-Acetyl-dl-phenylalanine2901-75-960 % similar 3′,5′-Diiodo-L-tyrosine300-39-057 % similar N-Acetyl-4-fluorophenylalanine17481-06-056 % similar N-Acetyl-3-fluorophenylalanine17607-28-256 % similar

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

Elsewhere

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