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(2S)-2-{[(tert-butoxy)carbonyl]amino}-6-({[(2-chlorophenyl)methoxy]carbonyl}amino)hexanoic acid
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ChemBase ID:
152289
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Molecular Formular:
C19H27ClN2O6
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Molecular Mass:
414.88048
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Monoisotopic Mass:
414.15576427
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SMILES and InChIs
SMILES:
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)O
Canonical SMILES:
O=C(OCc1ccccc1Cl)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
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-/m0/s1
InChIKey:
ATUMDPHEFWGCJF-HNNXBMFYSA-N
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Cite this record
CBID:152289 http://www.chembase.cn/molecule-152289.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S)-2-{[(tert-butoxy)carbonyl]amino}-6-({[(2-chlorophenyl)methoxy]carbonyl}amino)hexanoic acid
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IUPAC Traditional name
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(2S)-2-[(tert-butoxycarbonyl)amino]-6-({[(2-chlorophenyl)methoxy]carbonyl}amino)hexanoic acid
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Synonyms
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Nα-Boc-Nε-(2-chloro-Z)-L-lysine
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Boc-Lys(2-Cl-Z)-OH
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Boc-Lys(2-Cl-Z)-OH
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Nα-t-Boc-Nε-(2-chloro-Cbz)-L-lysine
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Nα-叔丁氧羰基-Nε-(2-氯苄氧羰基)-L-赖氨酸
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Boc-Lys(2-Cl-Z)-OH
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CAS Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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3.7663484
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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1.8134379
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LogD (pH = 7.4)
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0.27062693
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Log P
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3.548141
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Molar Refractivity
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103.1673 cm3
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Polarizability
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40.580376 Å3
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Polar Surface Area
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113.96 Å2
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Rotatable Bonds
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12
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
B8389
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Application Protected lysine especially suited for solid phase peptide synthesis; the 2-CI-Z protection is about 50 times more stable than the Z-group.1 |
Sigma Aldrich -
15399
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Application Protected lysine especially suited for solid phase peptide synthesis; the 2-CI-Z protection is about 50 times more stable than the Z-group.1 |
PATENTS
PATENTS
PubChem Patent
Google Patent