chempirical

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic acid

C21H23NO4CAS 169566-81-8353.42 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C21H23NO4
Molar mass
353.42 g/mol
Exact mass
353.1627 Da
logP
4.02Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
169566-81-8
SMILES
CC(C)[C@@](C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
AWEZXIRZNQCCNN-NRFANRHFSA-N
InChI
InChI=1S/C21H23NO4/c1-13(2)21(3,19(23)24)22-20(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,24)/t21-/m0/s1

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Names and synonyms

1 names
  • Fmoc-(S)-alpha-methylvaline

Work with (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic 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-cycloleucine117322-30-263 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid1172127-44-458 % similar 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-055 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine312624-65-052 % similar Fmoc-O-trityl-L-threonine133180-01-552 % similar Fmoc-L-phenylglycine102410-65-151 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-151 % similar Fmoc-D-cys(tbu)-oh131766-22-849 % similar

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

Same formula

Fmoc-N-methyl-D-valine103478-58-6 tert-Butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate112741-49-8 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-1 Fmoc-D-nle-oh112883-41-7 (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-2 Fmoc-D-allo-ile-oh118904-37-3 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-7 Fmoc-D-ile-oh143688-83-9

Elsewhere

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