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1155-64-2 molecular structure
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(2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoic acid

ChemBase ID: 59942
Molecular Formular: C14H20N2O4
Molecular Mass: 280.3196
Monoisotopic Mass: 280.14230713
SMILES and InChIs

SMILES:
C(=O)(OCc1ccccc1)NCCCC[C@@H](C(=O)O)N
Canonical SMILES:
O=C(OCc1ccccc1)NCCCC[C@@H](C(=O)O)N
InChI:
InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(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-/m0/s1
InChIKey:
CKGCFBNYQJDIGS-LBPRGKRZSA-N

Cite this record

CBID:59942 http://www.chembase.cn/molecule-59942.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoic acid
IUPAC Traditional name
(2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoic acid
Synonyms
N(epsilon)-Cbz-L-Lysine
N(epsilon)-Benzyloxycarbonyl-L-lysine
H-Lys(Z)-OH
N6-[(Phenylmethoxy)carbonyl]-L-lysine
N-ε-Benzoyloxycarbonyllysine
N6-(Benzyloxycarbonyl)-L-lysine
Nε-Z-L-lysine
N6-Carbobenzyloxy-L-lysine
H-Lys(Z)-OH
EPSILON-CARBOBENZOXY-L-LYSINE
H-Lys(Z)-OH
N-epsilon-CBZ-L-LYSINE
N~6~-[(benzyloxy)carbonyl]-L-lysine
N(ε)-苄氧羰基-L-赖氨酸
Nε-苄氧羰基-L-赖氨酸
N6-Cbz-L-赖氨酸
CAS Number
1155-64-2
EC Number
214-585-7
MDL Number
MFCD00002638
Beilstein Number
2222482
PubChem SID
24893007
24890356
162064705
PubChem CID
1715626

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9827216  H Acceptors
H Donor LogD (pH = 5.5) -0.81052226 
LogD (pH = 7.4) -0.81343323  Log P -0.81053084 
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

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Aqueous Base expand Show data source
Dilute Acid expand Show data source
Apperance
White Solid expand Show data source
Melting Point
253-255°C expand Show data source
259 °C (dec.)(lit.) expand Show data source
259°C dec. expand Show data source
Optical Rotation
[α]20/D +14.4°, c = 1.6 in 1 M HCl expand Show data source
[α]20/D +15.5±1°, c = 1% in 1 M HCl expand Show data source
Storage Condition
0°C expand Show data source
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
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
≥99.0% (NT) expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
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Linear Formula
C6H5CH2OOCNH(CH2)4CH(NH2)COOH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02101263 external link
Purity: 98%
MP Biomedicals - 05211022 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C8008 external link
Packaging
5 g in glass bottle
Sigma Aldrich - 96840 external link
Packaging
10, 50 g in glass bottle
Toronto Research Chemicals - B286220 external link
Protected amino acid

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Li, X., et al.: Eur. J. Med. Chem., 43, 8 (2008)
  • • Berggren, K., et al.: Bioorg. Med. Chem., 17, 3463 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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