chempirical

Fmoc-lys(fmoc)-oh

C36H34N2O6CAS 78081-87-5590.68 g/mol

Open in Covalent MOL file
OONHOHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C36H34N2O6
Molar mass
590.68 g/mol
Exact mass
590.2417 Da
logP
6.69Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
78081-87-5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChIKey
BMJRTKDVFXYEFS-XIFFEERXSA-N
InChI
InChI=1S/C36H34N2O6/c39-34(40)33(38-36(42)44-22-32-29-17-7-3-13-25(29)26-14-4-8-18-30(26)32)19-9-10-20-37-35(41)43-21-31-27-15-5-1-11-23(27)24-12-2-6-16-28(24)31/h1-8,11-18,31-33H,9-10,19-22H2,(H,37,41)(H,38,42)(H,39,40)/t33-/m0/s1

Weigh it out

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Work with Fmoc-lys(fmoc)-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

Fmoc-D-lys(Z)-oh110990-07-387 % similar Fmoc-lys(aloc)-oh146982-27-684 % similar N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-184 % similar N-Boc-N'-fmoc-L-lysine84624-27-183 % similar Fmoc-lys(ac)-OH159766-56-083 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-782 % similar Fmoc-orn(Z)-oh138775-07-281 % similar Fmoc-orn(aloc)-oh147290-11-779 % similar

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

Elsewhere

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