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CAS 1402135-16-3 L-Glutamine, L-alanyl-L-γ-glutamyl-L-alanyl- molecular structure lightbox
CAS RN: 1402135-16-3

L-Glutamine, L-alanyl-L-γ-glutamyl-L-alanyl-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1402135-16-3
  • Purity/Analytical Methods: >99.0%
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1402135-16-3 / (2S)-5-amino-2-[[(2S)-2-[[(4S)-4-[[(2S)-2-aminopropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Standard CAS: 1402135-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1402135-16-3
Multi CAS
No
Molecular Formula
C16H27N5O8
Molecular Weight
417.410000
Exact Mass
417.185963
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)C(=O)O)N
InChI
InChI=1S/C16H27N5O8/c1-7(17)13(24)20-10(16(28)29)4-6-12(23)19-8(2)14(25)21-9(15(26)27)3-5-11(18)22/h7-10H,3-6,17H2,1-2H3,(H2,18,22)(H,19,23)(H,20,24)(H,21,25)(H,26,27)(H,28,29)/t7-,8-,9-,10-/m0/s1
InChIKey
AONLBIJCQZKDNV-XKNYDFJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.62
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
7
Molar refractivity
98.05
TPSA
231.01

LogP / Solubility

WLOGP
-2.98
MLOGP
-2.59
XLogP3
-5.4
Consensus LogP
-3.66
Log S (ESOL)
0.31
Class (ESOL)
Highly soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-7.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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