chempirical

Fmoc-D-glu-otbu

C24H27NO6CAS 109745-15-5425.48 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C24H27NO6
Molar mass
425.48 g/mol
Exact mass
425.1838 Da
logP
4.10Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
109745-15-5
SMILES
CC(C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
GOPWHXPXSPIIQZ-HXUWFJFHSA-N
InChI
InChI=1S/C24H27NO6/c1-24(2,3)31-22(28)20(12-13-21(26)27)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,27)/t20-/m1/s1

Weigh it out

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

Work with Fmoc-D-glu-otbu

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)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-982 % similar Nalpha-fmoc-L-serine tert-butyl ester110797-35-873 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-372 % similar Fmoc-glu-obzl122350-52-171 % similar Fmoc-L-glutamic acid121343-82-670 % similar Fmoc-gla(otbu)2-oh111662-64-767 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-362 % similar Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-662 % similar

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

Same formula

Boc-glu(ofm)-oh123417-18-5 N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester152548-66-8 N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-9

Elsewhere

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