chempirical

Fmoc-L-2-chlorophe

C24H20ClNO4CAS 198560-41-7421.88 g/mol

Open in Covalent MOL file
OOHNHOOCl
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C24H20ClNO4
Molar mass
421.88 g/mol
Exact mass
421.1081 Da
logP
4.87Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
198560-41-7
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
InChIKey
RNNKPNPLIMFSDY-QFIPXVFZSA-N
InChI
InChI=1S/C24H20ClNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,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.

Work with Fmoc-L-2-chlorophe

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-2-methylphe211637-75-175 % similar Fmoc-D-tyr-oh112883-29-172 % similar Fmoc-2-nal-oh112883-43-971 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-471 % similar Fmoc-L-4,4'-biphenylalanine199110-64-070 % similar Fmoc-L-3-fluorophe198560-68-870 % similar Fmoc-L-4-fluorophe169243-86-169 % similar (S)-N-Fmoc-4-bromophenylalanine198561-04-569 % similar

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

Same formula

Fmoc-D-4-chlorophe142994-19-2 (S)-N-Fmoc-4-chlorophenylalanine175453-08-4 Fmoc-3-chloro-L-phenylalanine198560-44-0 Fmoc-2-chloro-D-phenylalanine205526-22-3 Fmoc-3-chloro-D-phenylalanine205526-23-4

Elsewhere

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