chempirical

Fmoc-lys(me)2-oh hcl

C23H29ClN2O4CAS 252049-10-8432.95 g/mol

Open in Covalent MOL file
NOOHNHOOHCl
CarbamateCarboxylic acidTertiary amine

Properties

Molecular formula
C23H29ClN2O4
Molar mass
432.95 g/mol
Exact mass
432.1816 Da
logP
4.13Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
252049-10-8
SMILES
CN(C)CCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.Cl
InChIKey
SJFAFKDBWNFBCC-BOXHHOBZSA-N
InChI
InChI=1S/C23H28N2O4.ClH/c1-25(2)14-8-7-13-21(22(26)27)24-23(28)29-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20;/h3-6,9-12,20-21H,7-8,13-15H2,1-2H3,(H,24,28)(H,26,27);1H/t21-;/m0./s1

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Work with Fmoc-lys(me)2-oh hcl

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

Nalpha-fmoc-L-lysine hydrochloride139262-23-074 % similar Fmoc-D-lys-oh hcl201002-47-374 % similar Fmoc-D-nle-oh112883-41-771 % similar Fmoc-lys-oh105047-45-869 % similar Fmoc-L-norvaline135112-28-668 % similar (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-668 % similar Fmoc-lys(ac)-OH159766-56-066 % similar Fmoc-cha-oh135673-97-164 % similar

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

Elsewhere

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