chempirical

N-Fmoc-N'-trityl-D-glutamine

C39H34N2O5CAS 200623-62-7610.71 g/mol

Open in Covalent MOL file
NHOOHONHOO
AmideCarbamateCarboxylic acid

Properties

Molecular formula
C39H34N2O5
Molar mass
610.71 g/mol
Exact mass
610.2468 Da
logP
6.87Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
11
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
200623-62-7
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChIKey
WDGICUODAOGOMO-PGUFJCEWSA-N
InChI
InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m1/s1

Weigh it out

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

Work with N-Fmoc-N'-trityl-D-glutamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine132327-80-1Enantiomer

Similar compounds

Fmoc-Gln(Trt)-Ser(Psi(Me,Me)pro)-OH1821378-64-671 % similar Fmoc-L-glutamic acid121343-82-670 % similar Fmoc-homoser(trt)-oh111061-55-369 % similar Fmoc-homocys(trt)-oh167015-23-868 % similar Fmoc-L-homophenylalanine132684-59-468 % similar Fmoc-D-homophenylalanine135944-09-168 % similar Fmoc-D-homophenylalanine135994-09-168 % similar Fmoc-D-ser(trt)-oh212688-51-267 % similar

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

Same formula

(3S)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[tri(phenyl)methylamino]pentanoic acid283160-20-3

Elsewhere

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