CAS RN: 156251-01-3
H-GLU-ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL-OH
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.20260225 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS156251-01-3
- Purity/Analytical Methods: >99.0%
156251-01-3 / (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Basic Information
CAS
156251-01-3
Multi CAS
No
Molecular Formula
C42H74N10O14
Molecular Weight
943.100000
Exact Mass
942.538597
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C42H74N10O14/c1-12-21(7)32(49-28(54)17-44-35(58)23(9)46-36(59)24(10)47-37(60)26(43)14-15-30(56)57)39(62)45-18-29(55)50-33(22(8)13-2)40(63)48-27(16-19(3)4)38(61)52-34(25(11)53)41(64)51-31(20(5)6)42(65)66/h19-27,31-34,53H,12-18,43H2,1-11H3,(H,44,58)(H,45,62)(H,46,59)(H,47,60)(H,48,63)(H,49,54)(H,50,55)(H,51,64)(H,52,61)(H,56,57)(H,65,66)/t21-,22-,23-,24-,25+,26-,27-,31-,32-,33-,34-/m0/s1
InChIKey
TUIOKRGNEZUFAI-NMIMMQBESA-N
Computed Properties
Structural Parameters
Heavy atom count
66
Fraction Csp3
0.74
Rotatable bonds
30
H-bond acceptors
13
H-bond donors
13
Molar refractivity
238.25
TPSA
382.75
LogP / Solubility
WLOGP
-2.9
MLOGP
-2.46
XLogP3
-2.3
Consensus LogP
-2.55
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
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)
-10.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
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