chempirical

Boc-N'-(2-chloro-cbz)-D-lysine

C19H27ClN2O6CAS 57096-11-4414.88 g/mol

Open in Covalent MOL file
OONHNHOOClOOH
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C19H27ClN2O6
Molar mass
414.88 g/mol
Exact mass
414.1558 Da
logP
3.71Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
9
Stereocentres
Rin 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
57096-11-4
SMILES
CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)O
InChIKey
ATUMDPHEFWGCJF-OAHLLOKOSA-N
InChI
InChI=1S/C19H27ClN2O6/c1-19(2,3)28-18(26)22-15(16(23)24)10-6-7-11-21-17(25)27-12-13-8-4-5-9-14(13)20/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)/t15-/m1/s1

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Names and synonyms

1 names
  • Boc-D-lys(2-cl-Z)-OH

Work with Boc-N'-(2-chloro-cbz)-D-lysine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N6-[[(2-Chlorophenyl)methoxy]carbonyl]-N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine54613-99-9Enantiomer

Similar compounds

Boc-orn(2-cl-Z)-oh118554-00-095 % similar N-Boc-N'-fmoc-L-lysine84624-27-170 % similar Boc-2-chloro-L-phenylalanine114873-02-867 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid80102-23-467 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-767 % similar Boc-orn(fmoc)-oh150828-96-966 % similar Z-Ndelta-Boc-L-ornithine7733-29-166 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-765 % similar

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

Elsewhere

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