Fmoc-phe(4-CN)-OH

C₂₅H₂₀N₂O₄CAS 173963-93-4412.45 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Nitrile

Properties

Molecular formula: C₂₅H₂₀N₂O₄
Molar mass: 412.45 g/mol
Exact mass: 412.1423 Da
logP: 4.09Crippen estimate
Polar surface area: 99.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

173963-93-4

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C#N)C(=O)O

InChIKey

JOPKKUTWCGYCDA-QHCPKHFHSA-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-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-L-4-cyanophenylalanine

Work with Fmoc-phe(4-CN)-OH

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-oh112883-29-177 % similar Fmoc-bpa-oh117666-96-372 % similar Fmoc-D-4-carbamoylphe1217610-39-372 % similar Fmoc-tyr-tyr-oh1269665-49-771 % similar Fmoc-2-nal-oh112883-43-970 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-968 % similar Fmoc-D-ser-oh116861-26-868 % similar Fmoc-L-homophenylalanine132684-59-464 % similar

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

Same formula

4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-7 3-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-37-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook