![CAS 220701-06-4 L-Lysinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-α-glutamyl-L-asparaginyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220701-06-4.gif)
CAS RN: 220701-06-4
L-Lysinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-α-glutamyl-L-asparaginyl- (9CI)
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.20260513 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS220701-06-4
- Purity/Analytical Methods: >99.0%
220701-06-4 / (4S)-5-[[(2S)-4-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid
Basic Information
CAS
220701-06-4
Multi CAS
No
Molecular Formula
C33H43N7O9
Molecular Weight
681.700000
Exact Mass
681.312226
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C33H43N7O9/c1-18(37-33(48)49-17-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23)30(45)39-25(13-14-28(42)43)31(46)40-26(16-27(35)41)32(47)38-24(29(36)44)12-6-7-15-34/h2-5,8-11,18,23-26H,6-7,12-17,34H2,1H3,(H2,35,41)(H2,36,44)(H,37,48)(H,38,47)(H,39,45)(H,40,46)(H,42,43)/t18-,24-,25-,26-/m0/s1
InChIKey
SAWVPDQXSCHRKB-UZTPZCRESA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
19
H-bond acceptors
9
H-bond donors
8
Molar refractivity
176.24
TPSA
275.13
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.19
XLogP3
-2.9
Consensus LogP
-1.12
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
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)
-7.08
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
6
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