CAS RN: 23827-91-0
ARG-PRO-PRO-GLY-PHE-SER-PRO-PHE ACETATE SALT
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260513 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23827-91-0
- Purity/Analytical Methods: >99.0%
23827-91-0 / acetic acid;(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Basic Information
CAS
23827-91-0
Multi CAS
No
Molecular Formula
C46H65N11O12
Molecular Weight
964.100000
Exact Mass
963.481417
SMILES
CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O
InChI
InChI=1S/C44H61N11O10.C2H4O2/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28;1-2(3)4/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48);1H3,(H,3,4)/t29-,30-,31-,32-,33-,34-,35-;/m0./s1
InChIKey
FLNJLMIOGWOIQM-NHJGMUSQSA-N
Computed Properties
Structural Parameters
Heavy atom count
69
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
21
H-bond acceptors
12
H-bond donors
10
Molar refractivity
249.22
TPSA
362.58
LogP / Solubility
WLOGP
-2.44
MLOGP
-2.05
XLogP3
-2.44
Consensus LogP
-2.31
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
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)
-10.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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H-SER-PRO-OH
- CAS RN: 23827-93-2
- Product Code: starshine_CAS23827-93-2
- Purity/Analytical method: >99.0%
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