[email protected]
CAS 135679-88-8 Glycyl-L-prolyl-L-arginyl-L-prolyl-L-alaninamide molecular structure lightbox
CAS RN: 135679-88-8

Glycyl-L-prolyl-L-arginyl-L-prolyl-L-alaninamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS135679-88-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

135679-88-8 / (2S)-1-(2-aminoacetyl)-N-[(2S)-1-[(2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Standard CAS: 135679-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135679-88-8
Multi CAS
No
Molecular Formula
C21H37N9O5
Molecular Weight
495.600000
Exact Mass
495.291765
SMILES
C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)CN
InChI
InChI=1S/C21H37N9O5/c1-12(17(23)32)27-18(33)15-7-4-10-30(15)20(35)13(5-2-8-26-21(24)25)28-19(34)14-6-3-9-29(14)16(31)11-22/h12-15H,2-11,22H2,1H3,(H2,23,32)(H,27,33)(H,28,34)(H4,24,25,26)/t12-,13-,14-,15-/m0/s1
InChIKey
BYWJFRMLHFQWSR-AJNGGQMLSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.71
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
6
Molar refractivity
127.17
TPSA
232.33

LogP / Solubility

WLOGP
-3.54
MLOGP
-3.08
XLogP3
-3.4
Consensus LogP
-3.34
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-8.26

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

Customers Also Viewed

Get In Touch

Contact Us