chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine 2,3,4,5,6-pentafluorophenyl ester

C26H20F5NO4SCAS 86060-94-8537.50 g/mol

Open in Covalent MOL file
SNHOOOOFFFFF
Aryl halideEsterSulfide

Properties

Molecular formula
C26H20F5NO4S
Molar mass
537.50 g/mol
Exact mass
537.1033 Da
Melting point
101–103 °C
logP
6.15Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
86060-94-8
SMILES
CSCC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIKey
OKDPSRDTLNXPFQ-SFHVURJKSA-N
InChI
InChI=1S/C26H20F5NO4S/c1-37-11-10-18(25(33)36-24-22(30)20(28)19(27)21(29)23(24)31)32-26(34)35-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,32,34)/t18-/m0/s1

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Names and synonyms

2 names
  • L-Methionine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester
  • L-Methionine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine 2,3,4,5,6-pentafluorophenyl ester

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

5-(1,1-Dimethylethyl) 1-(2,3,4,5,6-pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate86061-04-370 % similar D-Fmoc-methionine112883-40-669 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine71989-28-169 % similar L-Cysteine, S-[(acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester86060-96-067 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine 2,3,4,5,6-pentafluorophenyl ester132388-65-966 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycine 2,3,4,5,6-pentafluorophenyl ester86060-85-757 % similar Fmoc-D-ala-opfp125043-04-152 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-251 % similar

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

Elsewhere

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