N-Fmoc-N'-trityl-D-histidine

C₄₀H₃₃N₃O₄CAS 135610-90-1619.72 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₄₀H₃₃N₃O₄
Molar mass: 619.72 g/mol
Exact mass: 619.2471 Da
logP: 7.26Crippen estimate
Polar surface area: 93.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 10
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

135610-90-1

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChIKey

XXMYDXUIZKNHDT-DIPNUNPCSA-N

InChI

InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m1/s1

Weigh it out

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

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

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-homoser(trt)-oh111061-55-358 % similar Fmoc-L-aspartic acid119062-05-457 % similar Fmoc-D-ser-oh116861-26-856 % similar Fmoc-L-homophenylalanine132684-59-456 % similar Fmoc-L-2-chlorophe198560-41-756 % similar Fmoc-bpa-oh117666-96-356 % similar Fmoc-L-glutamic acid121343-82-655 % similar (S)-N-Fmoc-2-thienylalanine130309-35-255 % similar

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

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1-(triphenylmethyl)-L-histidine109425-51-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook