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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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-2-chloro-D-phenylalanine205526-22-3Enantiomer

Similar compounds

Fmoc-L-2-bromophenylalanine220497-47-277 % similar Fmoc-D-2-bromophenylalanine220497-79-077 % similar Fmoc-L-2-methylphe211637-75-175 % similar Fmoc-phe-oh286460-71-773 % similar Fmoc-D-phenylalanine86123-10-673 % similar Fmoc-D-tyr-oh112883-29-172 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-072 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid352523-15-071 % 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-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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