Fmoc-3,4-dichloro-L-phenylalanine

C₂₄H₁₉Cl₂NO₄CAS 177966-59-5456.32 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₁₉Cl₂NO₄
Molar mass: 456.32 g/mol
Exact mass: 455.0691 Da
logP: 5.73Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers

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

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

177966-59-5

SMILES

O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)N=C(O)OCC1c2ccccc2-c2ccccc21

InChIKey

QNVHCYWPXIGFGN-QFIPXVFZSA-N

InChI

InChI=1S/C24H19Cl2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1

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Names and synonyms

2 names

3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine
L-Phenylalanine, 3,4-dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Work with Fmoc-3,4-dichloro-L-phenylalanine

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-3,4-dichloro-D-phenylalanine177966-58-4Enantiomer

Similar compounds

3-Chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tyrosine478183-58-384 % similar Fmoc-L-phenylalanine35661-40-675 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-175 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-L-phenylalanine198560-43-974 % similar Fmoc-L-3-methylphenylalanine211637-74-074 % similar 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine220497-48-374 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-173 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-272 % similar

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

Elsewhere

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