CAS RN: 49673-81-6

L-Lysine S-(carboxymethyl)-L-cysteine

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  • Product code: starshine_CAS49673-81-6
  • Purity/Analytical Methods: >99.0%
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49673-81-6 / (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;(2S)-2,6-diaminohexanoic acid

Standard CAS: 49673-81-6 Multi CAS: Yes

Basic Information

CAS
49673-81-6
Multi CAS
Yes
Molecular Formula
C11H23N3O6S
Molecular Weight
325.380000
Exact Mass
325.130757
InChI
InChI=1S/C6H14N2O2.C5H9NO4S/c7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-11-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1
InChIKey
SAGXGPWVLUSDSQ-RVZXSAGBSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.73
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
6
Molar refractivity
79.09
TPSA
189.96

LogP / Solubility

WLOGP
-1.26
MLOGP
-1.09
XLogP3
-1.26
Consensus LogP
-1.2
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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