Fmoc-D-2-pyridylalanine

C₂₃H₂₀N₂O₄CAS 185379-39-9388.42 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₃H₂₀N₂O₄
Molar mass: 388.42 g/mol
Exact mass: 388.1423 Da
logP: 3.62Crippen estimate
Polar surface area: 88.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

185379-39-9

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=CC=N4)C(=O)O

InChIKey

DXIVJCDZOMUITR-OAQYLSRUSA-N

InChI

InChI=1S/C23H20N2O4/c26-22(27)21(13-15-7-5-6-12-24-15)25-23(28)29-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20-21H,13-14H2,(H,25,28)(H,26,27)/t21-/m1/s1

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Names and synonyms

1 names

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-2-yl)propanoic acid

Work with Fmoc-D-2-pyridylalanine

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-ser-oh116861-26-867 % similar Fmoc-L-2-chlorophe198560-41-766 % similar (S)-N-Fmoc-2-thienylalanine130309-35-265 % similar Fmoc-D-4-chlorophe142994-19-265 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-465 % similar Fmoc-L-aspartic acid119062-05-465 % similar Fmoc-his-oh116611-64-464 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-264 % similar

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

Same formula

Fmoc-3-(4-pyridyl)-L-alanine169555-95-7 (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic acid175453-07-3 (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-pyridinepropanoic acid185379-40-2 Fmoc-D-4-pyridylalanine205528-30-9

Elsewhere

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