Fmoc-3,4-dichloro-D-phenylalanine

C24H19Cl2NO4CAS 177966-58-4456.32 g/mol

Open in Covalent MOL file
OOHClClNHOO
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin 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
177966-58-4
SMILES
O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
QNVHCYWPXIGFGN-JOCHJYFZSA-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-/m1/s1

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Names and synonyms

5 names
  • 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine
  • D-Phenylalanine, 3,4-dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • 986: PN: WO2006135786 PAGE: 70 claimed sequence
  • 295: PN: US20070042401 PAGE: 38 claimed sequence
  • (2R)-3-(3,4-Dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Work with Fmoc-3,4-dichloro-D-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-L-phenylalanine177966-59-5Enantiomer

Similar compounds

(2S)-3-(3-Chloro-4-hydroxyphenyl)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid478183-58-384 % 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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