Fmoc-D-4-pyridylalanine

C23H20N2O4CAS 205528-30-9388.42 g/mol

Open in Covalent MOL file
OONHNOHO
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
205528-30-9
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=NC=C4)C(=O)O
InChIKey
SCSSXJVRZMQUKA-OAQYLSRUSA-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-/m1/s1

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Names and synonyms

1 names
  • Fmoc-3-(4-pyridyl)-D-alanine

Work with Fmoc-D-4-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

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-pyridyl)-L-alanine169555-95-7Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-783 % similar Fmoc-D-phenylalanine86123-10-683 % similar Fmoc-D-tyr-oh112883-29-178 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-078 % similar Fmoc-L-4,4'-biphenylalanine199110-64-077 % similar Fmoc-D-4-chlorophe142994-19-275 % similar Fmoc-L-4-fluorophe169243-86-175 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-475 % 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-(R)-3-amino-3-(3-pyridyl)-propionic acid511272-43-8

Elsewhere

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