(S)-N-Fmoc-4-chlorophenylalanine

C24H20ClNO4CAS 175453-08-4421.88 g/mol

Open in Covalent MOL file
OONHClOHO
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

Hazards

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

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Identifiers

CAS number
175453-08-4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)Cl)C(=O)O
InChIKey
CQPNKLNINBUUOM-QFIPXVFZSA-N
InChI
InChI=1S/C24H20ClNO4/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.

Work with (S)-N-Fmoc-4-chlorophenylalanine

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.

Fmoc-D-4-chlorophe142994-19-2Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-782 % similar Fmoc-D-phenylalanine86123-10-682 % similar Fmoc-D-tyr-oh112883-29-180 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-080 % similar Fmoc-L-4,4'-biphenylalanine199110-64-079 % similar Fmoc-L-4-fluorophe169243-86-177 % similar (S)-N-Fmoc-4-bromophenylalanine198561-04-577 % similar Fmoc-L-4-methylphe199006-54-777 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-L-2-chlorophe198560-41-7 Fmoc-3-chloro-L-phenylalanine198560-44-0 Fmoc-2-chloro-D-phenylalanine205526-22-3 Fmoc-3-chloro-D-phenylalanine205526-23-4 (S)-3-((((9H-Fluoren-9-YL)methoxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid479064-91-0 (3R)-3-(4-Chlorophenyl)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid479064-92-1

Elsewhere

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