chempirical

N,N'-Di-boc-L-lysine hydroxysuccinimide ester

C20H33N3O8CAS 30189-36-7443.50 g/mol

Open in Covalent MOL file
OONHOONOOHNOO
AmideCarbamateLactam

Properties

Molecular formula
C20H33N3O8
Molar mass
443.50 g/mol
Exact mass
443.2268 Da
logP
2.18Crippen estimate
Polar surface area
140.3 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
30189-36-7
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChIKey
IQVLXQGNLCPZCL-ZDUSSCGKSA-N
InChI
InChI=1S/C20H33N3O8/c1-19(2,3)29-17(27)21-12-8-7-9-13(22-18(28)30-20(4,5)6)16(26)31-23-14(24)10-11-15(23)25/h13H,7-12H2,1-6H3,(H,21,27)(H,22,28)/t13-/m0/s1

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Work with N,N'-Di-boc-L-lysine hydroxysuccinimide ester

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

(2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-761 % similar Boc-beta-ala-osu32703-87-059 % similar Boc-ser(bzl)-osu13650-73-256 % similar N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride13288-57-851 % similar 10-N-Boc-amino-dec-1-ene313469-03-348 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-647 % similar Boc-D-lys-oh106719-44-246 % similar N-Epsilon-boc-D-lysine31202-69-446 % similar

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

Elsewhere

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