chempirical

Fmoc-alpha-methyl-L-leucine

C22H25NO4CAS 312624-65-0367.45 g/mol

Open in Covalent MOL file
NHOOOHO
Carboxylic acid

Properties

Molecular formula
C22H25NO4
Molar mass
367.45 g/mol
Exact mass
367.1784 Da
logP
4.62Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

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

Identifiers

CAS number
312624-65-0
SMILES
CC(C)C[C@](C)(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
LKQDQIGTIVQHMG-QFIPXVFZSA-N
InChI
InChI=1S/C22H25NO4/c1-14(2)12-22(3,20(24)25)23-21(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t22-/m0/s1

Weigh it out

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Names and synonyms

3 names
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine
  • L-Leucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-2,4-dimethylpentanoic acid

Work with Fmoc-alpha-methyl-L-leucine

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

(S)-Fmoc-2-amino-3-tert-butoxy-2-methyl-propionic acid914399-98-774 % similar 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-069 % similar 1-((Fmoc)amino)cyclohexanecarboxylic acid162648-54-661 % similar Fmoc-leucine35661-60-054 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-353 % similar N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-153 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic acid169566-81-852 % similar Fmoc-L-valine68858-20-851 % 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-yl)methoxy)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 Fmoc-L-beta-homoleucine193887-44-4

Elsewhere

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