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70671-54-4 molecular structure
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(2R)-6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid

ChemBase ID: 152247
Molecular Formular: C14H20N2O4
Molecular Mass: 280.3196
Monoisotopic Mass: 280.14230713
SMILES and InChIs

SMILES:
c1ccc(cc1)COC(=O)N[C@H](CCCCN)C(=O)O
Canonical SMILES:
NCCCC[C@H](C(=O)O)NC(=O)OCc1ccccc1
InChI:
InChI=1S/C14H20N2O4/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKey:
OJTJKAUNOLVMDX-GFCCVEGCSA-N

Cite this record

CBID:152247 http://www.chembase.cn/molecule-152247.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid
IUPAC Traditional name
(2R)-6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid
Synonyms
Nα-Cbz-D-lysine
Nα-Z-D-Lysine
Z-D-Lys-OH
Nα-Cbz-D-赖氨酸
Nα-Z-D-赖氨酸
CAS Number
70671-54-4
MDL Number
MFCD00067713
Beilstein Number
5290234
PubChem SID
24890351
162246392
PubChem CID
7017997

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7017997 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6722085  H Acceptors
H Donor LogD (pH = 5.5) -0.81588596 
LogD (pH = 7.4) -0.8112727  Log P -0.81098807 
Molar Refractivity 73.4895 cm3 Polarizability 29.024624 Å3
Polar Surface Area 101.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98.0% (TLC) expand Show data source
Linear Formula
NH2(CH2)4CH(NHCO2CH2C6H5)CO2H expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 96825 external link
Packaging
1 g in poly tube

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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