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CAS 115588-13-1 H-GLY-D-GLN-OH molecular structure lightbox
CAS RN: 115588-13-1

H-GLY-D-GLN-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS115588-13-1
  • Purity/Analytical Methods: >99.0%
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115588-13-1 / (2R)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoic acid

Glycyl-l-glutamine | glycylglutamine | Gly-gln

Standard CAS: 115588-13-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115588-13-1
Multi CAS
Yes
Molecular Formula
C7H13N3O4
Molecular Weight
203.200000
Exact Mass
203.090606
SMILES
C(CC(=O)N)[C@H](C(=O)O)NC(=O)CN
InChI
InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m1/s1
InChIKey
PNMUAGGSDZXTHX-SCSAIBSYSA-N
Synonyms
Glycyl-l-glutamine glycylglutamine Gly-gln glycyl-glutamine DTXSID20156917

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
47.05
TPSA
135.51

LogP / Solubility

WLOGP
-2.22
MLOGP
-1.95
XLogP3
-4.6
Consensus LogP
-2.92
Log S (ESOL)
0.69
Class (ESOL)
Highly soluble
Log S (Ali)
0.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
Class (SILICOS-IT)
Highly 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)
-5.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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