chempirical

Fmoc-N-methyl-O-benzyl-L-threonine

C27H27NO5CAS 198561-81-8445.52 g/mol

Open in Covalent MOL file
OOHNOOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C27H27NO5
Molar mass
445.52 g/mol
Exact mass
445.1889 Da
logP
4.93Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
198561-81-8
SMILES
C[C@H]([C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC4=CC=CC=C4
InChIKey
OJELSPMZRJEODW-CJAUYULYSA-N
InChI
InChI=1S/C27H27NO5/c1-18(32-16-19-10-4-3-5-11-19)25(26(29)30)28(2)27(31)33-17-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h3-15,18,24-25H,16-17H2,1-2H3,(H,29,30)/t18-,25+/m1/s1

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Names and synonyms

1 names
  • Fmoc-N-me-thr(bzl)-OH

Work with Fmoc-N-methyl-O-benzyl-L-threonine

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

O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine117106-20-472 % similar Fmoc-N-methyl-D-valine103478-58-671 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine84000-11-371 % similar Fmoc-N-methyl-L-isoleucine138775-22-168 % similar Fmoc-N-methyl-D-phenylalanine138775-05-066 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-765 % similar (2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid117872-75-063 % similar Fmoc-N-methyl-L-leucine103478-62-261 % similar

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

Elsewhere

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