Fmoc-D-4-chlorophe

C₂₄H₂₀ClNO₄CAS 142994-19-2421.88 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

142994-19-2

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-JOCHJYFZSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid

Work with Fmoc-D-4-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-D-tyr-oh112883-29-180 % 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 Fmoc-D-4-methylphe204260-38-877 % similar Fmoc-3-(4-pyridyl)-L-alanine169555-95-775 % similar Fmoc-D-4-pyridylalanine205528-30-975 % similar

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

Same formula

(S)-N-Fmoc-4-chlorophenylalanine175453-08-4 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook