CAS RN: 283609-79-0

H-LEU-SER-LYS-LEU-NH2

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  • Product code: starshine_CAS283609-79-0
  • Purity/Analytical Methods: >99.0%
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283609-79-0 / (2S)-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanamide

Standard CAS: 283609-79-0 Multi CAS: Yes

Basic Information

CAS
283609-79-0
Multi CAS
Yes
Molecular Formula
C21H42N6O5
Molecular Weight
458.600000
Exact Mass
458.321668
InChI
InChI=1S/C21H42N6O5/c1-12(2)9-14(23)19(30)27-17(11-28)21(32)25-15(7-5-6-8-22)20(31)26-16(18(24)29)10-13(3)4/h12-17,28H,5-11,22-23H2,1-4H3,(H2,24,29)(H,25,32)(H,26,31)(H,27,30)/t14-,15-,16-,17-/m0/s1
InChIKey
YOKXDNNIFSAXBY-QAETUUGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.81
Rotatable bonds
16
H-bond acceptors
7
H-bond donors
7
Molar refractivity
121.86
TPSA
202.66

LogP / Solubility

WLOGP
-1.53
MLOGP
-1.32
XLogP3
-1.2
Consensus LogP
-1.35
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.61

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
4.5

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