chempirical

Fmoc-L-beta-homoleucine

C22H25NO4CAS 193887-44-4367.45 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C22H25NO4
Molar mass
367.45 g/mol
Exact mass
367.1784 Da
logP
4.41Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
193887-44-4
SMILES
CC(C)C[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
YLVSABQQLLRFIJ-HNNXBMFYSA-N
InChI
InChI=1S/C22H25NO4/c1-14(2)11-15(12-21(24)25)23-22(26)27-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1

Weigh it out

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

Work with Fmoc-L-beta-homoleucine

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-L-statine158257-40-074 % similar Fmoc-L-leucinol139551-83-074 % similar Fmoc-L-beta-homophenylalanine193954-28-873 % similar Fmoc-L-beta-homoalanine193954-26-672 % similar Fmoc-(S)-3-amino-5-phenylpentanoic acid219967-74-571 % similar (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic acid172695-33-969 % similar Fmoc-(R)-3-amino-4-(2-methyl-phenyl)-butyric acid269398-81-468 % similar Fmoc-(R)-3-amino-4-(4-methyl-phenyl)-butyric acid269398-86-968 % similar

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

Same formula

Fmoc-N-methyl-L-leucine103478-62-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-3 Fmoc-N-methyl-L-norleucine112883-42-8 Fmoc-7-amino-heptanoic acid127582-76-7 Fmoc-N-methyl-L-isoleucine138775-22-1 Fmoc-T-butyl-L-alanine139551-74-9 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-2 (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-7

Elsewhere

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