Fmoc-3-(4-pyridyl)-L-alanine

C₂₃H₂₀N₂O₄CAS 169555-95-7388.42 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: Sin SMILES atom order

Identifiers

CAS number

169555-95-7

SMILES

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

InChIKey

SCSSXJVRZMQUKA-NRFANRHFSA-N

InChI

InChI=1S/C23H20N2O4/c26-22(27)21(13-15-9-11-24-12-10-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(H,25,28)(H,26,27)/t21-/m0/s1

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Work with Fmoc-3-(4-pyridyl)-L-alanine

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-4-chlorophe142994-19-275 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-475 % similar Fmoc-bpa-oh117666-96-373 % similar Fmoc-D-4-carbamoylphe1217610-39-373 % similar Fmoc-tyr-tyr-oh1269665-49-771 % similar Fmoc-3-chloro-L-phenylalanine198560-44-070 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-969 % similar Fmoc-D-ser-oh116861-26-869 % similar

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

Same formula

(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic acid175453-07-3 Fmoc-D-2-pyridylalanine185379-39-9 (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-pyridinepropanoic acid185379-40-2 Fmoc-D-4-pyridylalanine205528-30-9

Elsewhere

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