Fmoc-D-2-pyridylalanine

C23H20N2O4CAS 185379-39-9388.42 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

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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.

(αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-pyridinepropanoic acid185379-40-2Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-771 % similar Fmoc-D-phenylalanine86123-10-671 % similar Fmoc-D-ser-oh116861-26-867 % similar Fmoc-L-serine73724-45-567 % similar Fmoc-D-tyr-oh112883-29-167 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-067 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid737007-45-366 % similar Fmoc-D-pentafluorophenylalanine198545-85-666 % 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 Fmoc-D-4-pyridylalanine205528-30-9 Fmoc-(R)-3-amino-3-(3-pyridyl)-propionic acid511272-43-8

Elsewhere

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