chempirical

Fmoc-(S)-3-amino-5-phenylpentanoic acid

C26H25NO4CAS 219967-74-5415.49 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C26H25NO4
Molar mass
415.49 g/mol
Exact mass
415.1784 Da
logP
5.00Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
219967-74-5
SMILES
C1=CC=C(C=C1)CC[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
FYJRCXFXXJMPFO-IBGZPJMESA-N
InChI
InChI=1S/C26H25NO4/c28-25(29)16-19(15-14-18-8-2-1-3-9-18)27-26(30)31-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29)/t19-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-(S)-3-amino-5-phenylpentanoic 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

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.

(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenepentanoic acid269398-87-0Enantiomer

Similar compounds

Fmoc-L-beta-homophenylalanine193954-28-881 % similar Fmoc-L-beta-homoleucine193887-44-471 % similar Fmoc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid270062-83-469 % similar Fmoc-(S)-3-amino-4-(4-chloro-phenyl)-butyric acid270596-43-569 % similar Fmoc-(S)-3-amino-3-phenylpropionic acid209252-15-369 % similar Fmoc-(R)-3-amino-3-phenylpropionic acid220498-02-269 % similar Fmoc-(R)-3-amino-4-(2-naphthyl)-butyric acid269398-91-668 % similar Fmoc-(S)-3-amino-4-(2-naphthyl)-butyric acid270063-40-668 % similar

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

Same formula

Fmoc-(R)-3-amino-4-(2-methyl-phenyl)-butyric acid269398-81-4 (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid269398-84-7 Fmoc-(R)-3-amino-4-(4-methyl-phenyl)-butyric acid269398-86-9 (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid270062-91-4 (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid270062-94-7 (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylbenzenebutanoic acid270062-97-0

Elsewhere

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