![CAS 129636-38-0 L-γ-Glutamyl-S-[(4-hydroxyphenyl)methyl]-L-cysteinylglycine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129636-38-0.gif)
CAS RN: 129636-38-0
L-γ-Glutamyl-S-[(4-hydroxyphenyl)methyl]-L-cysteinylglycine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251023 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS129636-38-0
- Purity/Analytical Methods: >99.0%
129636-38-0 / (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(4-hydroxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Basic Information
CAS
129636-38-0
Multi CAS
No
Molecular Formula
C17H23N3O7S
Molecular Weight
413.400000
Exact Mass
413.125671
SMILES
C1=CC(=CC=C1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C17H23N3O7S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-28-8-10-1-3-11(21)4-2-10/h1-4,12-13,21H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
InChIKey
GZQWDMACVJFPRW-STQMWFEESA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
6
Molar refractivity
101.69
TPSA
179.05
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.41
XLogP3
-3
Consensus LogP
-1.3
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
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)
-5.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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