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CAS 17663-87-5 H-GAMMA-GLU-MET-OH molecular structure lightbox
CAS RN: 17663-87-5

H-GAMMA-GLU-MET-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17663-87-5
  • Purity/Analytical Methods: >99.0%
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17663-87-5 / (2S)-2-amino-5-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-5-oxopentanoic acid

Standard CAS: 17663-87-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
17663-87-5
Multi CAS
No
Molecular Formula
C10H18N2O5S
Molecular Weight
278.330000
Exact Mass
278.093643
SMILES
CSCC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
InChIKey
RQNSKRXMANOPQY-BQBZGAKWSA-N

Physical Properties

Melting Point
228 - 231 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.7
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
4
Molar refractivity
67.41
TPSA
129.72

LogP / Solubility

WLOGP
-0.5
MLOGP
-0.43
XLogP3
-3.1
Consensus LogP
-1.34
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-4.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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