chempirical

Fmoc-(S)-3-amino-3-phenylpropionic acid

C24H21NO4CAS 209252-15-3387.44 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C24H21NO4
Molar mass
387.44 g/mol
Exact mass
387.1471 Da
logP
4.74Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
209252-15-3
SMILES
C1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
PTSLRPMRTOVHAB-QFIPXVFZSA-N
InChI
InChI=1S/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1

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Work with Fmoc-(S)-3-amino-3-phenylpropionic acid

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-(R)-3-amino-3-(2-furyl)-propionic acid1217662-55-973 % similar Fmoc-L-beta-homophenylalanine193954-28-870 % similar Fmoc-L-beta-homoalanine193954-26-669 % similar Fmoc-L-aspartic acid119062-05-468 % similar Fmoc-D-asp-oh136083-57-368 % similar (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic acid172695-33-967 % similar Fmoc-L-phenylglycine102410-65-165 % similar Fmoc-D-phg-oh111524-95-965 % similar

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

Same formula

Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate100516-54-9 Fmoc-(R)-3-amino-3-phenylpropionic acid220498-02-2 Fmoc-L-phenylalanine35661-40-6

Elsewhere

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