CAS RN: 141923-40-2
H-SER-PHE-LEU-LEU-ARG-ASN-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.20260227 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS141923-40-2
- Purity/Analytical Methods: >99.0%
141923-40-2 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Basic Information
CAS
141923-40-2
Multi CAS
No
Molecular Formula
C34H57N11O8
Molecular Weight
747.900000
Exact Mass
747.439158
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)N
InChI
InChI=1S/C34H57N11O8/c1-18(2)13-24(31(51)41-22(11-8-12-40-34(38)39)30(50)42-23(28(37)48)16-27(36)47)44-32(52)25(14-19(3)4)45-33(53)26(43-29(49)21(35)17-46)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,46H,8,11-17,35H2,1-4H3,(H2,36,47)(H2,37,48)(H,41,51)(H,42,50)(H,43,49)(H,44,52)(H,45,53)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-/m0/s1
InChIKey
HRYITGOEDRTTLM-FRSCJGFNSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
24
H-bond acceptors
10
H-bond donors
11
Molar refractivity
196.69
TPSA
342.33
LogP / Solubility
WLOGP
-3.52
MLOGP
-3.03
XLogP3
-2.2
Consensus LogP
-2.92
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.48
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)
-9.78
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
7
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