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CAS 127103-11-1 AC-SER-ASP-LYS-PRO-OH molecular structure lightbox
CAS RN: 127103-11-1

AC-SER-ASP-LYS-PRO-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS127103-11-1
  • Purity/Analytical Methods: >99.0%
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127103-11-1 / 1-[2-[[2-[(2-acetamido-3-hydroxypropanoyl)amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid

Standard CAS: 127103-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127103-11-1
Multi CAS
No
Molecular Formula
C20H33N5O9
Molecular Weight
487.500000
Exact Mass
487.227828
SMILES
CC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O
InChI
InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)
InChIKey
HJDRXEQUFWLOGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.7
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
7
Molar refractivity
116.08
TPSA
228.46

LogP / Solubility

WLOGP
-2.87
MLOGP
-2.49
XLogP3
-5.4
Consensus LogP
-3.59
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-7.73

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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