chempirical

(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(4-iodophenyl)propanoic acid

C24H20INO4CAS 82565-68-2513.33 g/mol

Open in Covalent MOL file
OONHIOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C24H20INO4
Molar mass
513.33 g/mol
Exact mass
513.0437 Da
logP
4.83Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

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

Identifiers

CAS number
82565-68-2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)I)C(=O)O
InChIKey
LXOXXTQKKRJNNB-QFIPXVFZSA-N
InChI
InChI=1S/C24H20INO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Fmoc-L-4-iodophenylalanine

Work with (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(4-iodophenyl)propanoic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-0Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-782 % similar Fmoc-D-phenylalanine86123-10-682 % similar Fmoc-D-tyr-oh112883-29-180 % similar Fmoc-L-4,4'-biphenylalanine199110-64-079 % similar Fmoc-D-4-chlorophe142994-19-277 % similar Fmoc-L-4-fluorophe169243-86-177 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-477 % similar (S)-N-Fmoc-4-bromophenylalanine198561-04-577 % similar

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

Elsewhere

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