chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine

C24H20INO4CAS 205526-29-0513.33 g/mol

Open in Covalent MOL file
OOHINHOO
Aryl halideCarboxylic acid

Properties

Molecular formula
C24H20INO4
Molar mass
513.33 g/mol
Exact mass
513.0437 Da
logP
5.03Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
205526-29-0
SMILES
O=C(O)[C@@H](Cc1ccc(I)cc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
LXOXXTQKKRJNNB-JOCHJYFZSA-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-/m1/s1

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Names and synonyms

2 names
  • D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-iodo-
  • Fmoc-p-I-D-phe-OH

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine

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-L-phenylalanine35661-40-682 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-179 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-278 % similar 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-776 % similar 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-475 % similar O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine162502-65-072 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine177966-58-472 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine177966-59-572 % similar

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

Elsewhere

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