CAS RN: 122063-01-8
H-ASP-SER-PHE-VAL-BETA-ALA-LEU-MET-NH2
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.20260506 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS122063-01-8
- Purity/Analytical Methods: >99.0%
122063-01-8 / (3S)-3-amino-4-[[(2S)-1-[[1-[[(2S)-1-[[3-[[1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Basic Information
CAS
122063-01-8
Multi CAS
No
Molecular Formula
C35H56N8O10S
Molecular Weight
780.900000
Exact Mass
780.384011
SMILES
CC(C)CC(C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CCNC(=O)[C@H](C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C35H56N8O10S/c1-19(2)15-24(32(50)40-23(30(37)48)12-14-54-5)39-27(45)11-13-38-35(53)29(20(3)4)43-33(51)25(16-21-9-7-6-8-10-21)41-34(52)26(18-44)42-31(49)22(36)17-28(46)47/h6-10,19-20,22-26,29,44H,11-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24-,25-,26-,29-/m0/s1
InChIKey
CKNPSJOMUQBPLA-WTWMNNMUSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
25
H-bond acceptors
11
H-bond donors
10
Molar refractivity
201.23
TPSA
301.24
LogP / Solubility
WLOGP
-2.11
MLOGP
-1.78
XLogP3
-3.1
Consensus LogP
-2.33
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly 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)
-8.98
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
Benzenemethanamine, 3,4,5-trimethoxy-a-methyl-,(S)-
- CAS RN: 122078-08-4
- Product Code: SSC-025007
-
Benzenemethanamine, 2,3,4-trimethoxy-a-methyl-,(S)-
- CAS RN: 122078-09-5
- Product Code: SSC-025008
-
“3-(4-Methylbenzenesulfonyl)-3-azabicyclo[3.2.0]heptan-6-one”
- CAS RN: 122080-99-3
- Product Code: SSC-025014
-
4-METHYL-N-(3-OXO-3-(PYRROLIDIN-1-YL)PROPYL)BENZENESULFONAMIDE
- CAS RN: 122081-15-6
- Product Code: SSC-025015
-
4(1H)-Pyrimidinone, 5-chloro-, hydrazone (9CI)
- CAS RN: 122082-97-7
- Product Code: SSC-025016
-
pivalyloxymethyl butyrate
- CAS RN: 122110-53-6
- Product Code: starshine_CAS122110-53-6
- Purity/Analytical method: >99.0%
![CAS 122080-99-3 “3-(4-Methylbenzenesulfonyl)-3-azabicyclo[3.2.0]heptan-6-one” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/122080-99-3.gif)
