Fmoc-N-me-gln(trt)-oh

C₄₀H₃₆N₂O₅CAS 1632075-13-8624.74 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₄₀H₃₆N₂O₅
Molar mass: 624.74 g/mol
Exact mass: 624.2624 Da
logP: 7.21Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 11
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1632075-13-8

SMILES

CN([C@@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChIKey

RMAUSWDYZJQCPJ-BHVANESWSA-N

InChI

InChI=1S/C40H36N2O5/c1-42(39(46)47-27-35-33-23-13-11-21-31(33)32-22-12-14-24-34(32)35)36(38(44)45)25-26-37(43)41-40(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24,35-36H,25-27H2,1H3,(H,41,43)(H,44,45)/t36-/m0/s1

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Work with Fmoc-N-me-gln(trt)-oh

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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-168 % similar Fmoc-N-methyl-L-glutamic acid 5-tert-butyl ester200616-40-667 % similar Fmoc-N-methyl-L-norleucine112883-42-866 % similar N-Fmoc-N'-trityl-D-glutamine200623-62-765 % similar Fmoc-N-methyl-D-phenylalanine138775-05-065 % similar N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-263 % similar Fmoc-N-methyl-L-leucine103478-62-262 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-362 % similar

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

Same formula

(3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-6-oxo-6-[(triphenylmethyl)amino]hexanoic acid401915-55-7

Elsewhere

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