chempirical

Fmoc-4-cyano-D-phenylalanine

C25H20N2O4CAS 205526-34-7412.45 g/mol

Open in Covalent MOL file
NNHOOOOH
CarbamateCarboxylic acidNitrile

Properties

Molecular formula
C25H20N2O4
Molar mass
412.45 g/mol
Exact mass
412.1423 Da
logP
4.30Crippen estimate
Polar surface area
102.9 Ų
H-bond donors / acceptors
2 / 4
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. Search the SDS library

Identifiers

CAS number
205526-34-7
SMILES
N#Cc1ccc(C[C@@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1
InChIKey
JOPKKUTWCGYCDA-HSZRJFAPSA-N
InChI
InChI=1S/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m1/s1

Weigh it out

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

Names and synonyms

2 names
  • 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine
  • D-Phenylalanine, 4-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Work with Fmoc-4-cyano-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-phe(4-CN)-OH173963-93-4Enantiomer

Similar compounds

Fmoc-L-phenylalanine35661-40-680 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-178 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-276 % similar Fmoc-D-4-iodophenylalanine205526-29-076 % similar 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-474 % similar Fmoc-D-tyr(4-et)-OH162502-65-071 % similar Fmoc-3,4-dichloro-D-phenylalanine177966-58-471 % similar Fmoc-3,4-dichloro-L-phenylalanine177966-59-571 % similar

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

Same formula

Fmoc-L-3-cyanophenylalanine205526-36-9 Fmoc-D-3-cyanophenylalanine205526-37-0

Elsewhere

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