CAS 1155-64-2|(2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoic acid|(2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoic acid|EPSILON-CARBOBENZOXY-L-LYSINE|Nε-Z-L-lysine|H-Lys(Z)-OH|Nε-苄氧羰基-...

General Information

Structure

Molecular Formula

C₁₄H₂₀N₂O₄

Molecular Mass

280.3196

Exact Mass

280.14230713

Charge

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

Canonic Smiles

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

Isomeric Smiles

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

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

Polarizability

29.024624

Polar Surface Area

101.65

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

EPSILON-CARBOBENZOXY-L-LYSINENε-Z-L-lysineNε-苄氧羰基-L-赖氨酸N6-Carbobenzyloxy-L-lysineN6-Cbz-L-赖氨酸H-Lys(Z)-OHN-epsilon-CBZ-L-LYSINEH-Lys(Z)-OHN6-[(Phenylmethoxy)carbonyl]-L-lysineN6-(Benzyloxycarbonyl)-L-lysineN-ε-BenzoyloxycarbonyllysineH-Lys(Z)-OHN~6~-[(benzyloxy)carbonyl]-L-lysineN(epsilon)-Cbz-L-LysineN(ε)-苄氧羰基-L-赖氨酸N(epsilon)-Benzyloxycarbonyl-L-lysine

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

MDL Number

EC Number

CAS Number

Beilstein Number