CAS 405-39-0|(2S)-2,6-di{[(benzyloxy)carbonyl]amino}hexanoic acid|(2S)-2,6-di{[(benzyloxy)carbonyl]amino}hexanoic acid|N,N′-双苄氧羰基-L-赖氨酸|Z-Lys(Z)-OH|Nα,Nε-二-Z-L-赖氨酸|N,N′-Di-Cbz-L-lysi...

General Information

Structure

Molecular Formula

C₂₂H₂₆N₂O₆

Molecular Mass

414.45164

Exact Mass

414.17908656

Charge

InChI

InChI=1S/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1

InChIKey

BLZXFNUZFTZCFD-IBGZPJMESA-N

Canonic Smiles

O=C(OCc1ccccc1)NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1

Isomeric Smiles

c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1

Calculated Properties

JChem

Acid pKa

3.637827

H Acceptors

H Donor

LogD (pH = 5.5)

1.7557561

LogD (pH = 7.4)

0.28514734

Log P

3.6146097

Molar Refractivity

109.1695

Polarizability

42.684494

Polar Surface Area

113.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-2,6-di{[(benzyloxy)carbonyl]amino}hexanoic acid

IUPAC name

(2S)-2,6-di{[(benzyloxy)carbonyl]amino}hexanoic acid

Synonyms

N,N′-双苄氧羰基-L-赖氨酸Z-Lys(Z)-OHNα,Nε-二-Z-L-赖氨酸N,N′-Di-Cbz-L-lysineNSC 88474N,N'-Bis(benzyloxycarbonyl)-L-lysineN2,N6-Dicarbobenzoxy-L-lysineN2,N6-Bis(benzyloxycarbonyl)-L-lysineNα,Nε-Di-Z-L-lysineN2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysineZ-Lys(Z)-OH

Names and Identifiers

Registration numbers

Beilstein Number

EC Number

PubChem SID

MDL Number

CAS Number