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CAS 144189-71-9 H-GLU-ASP-VAL-GLY-SER-ASN-LYS-GLY-ALA-ILE-ILE-GLY-LEU-MET-OH molecular structure lightbox
CAS RN: 144189-71-9

H-GLU-ASP-VAL-GLY-SER-ASN-LYS-GLY-ALA-ILE-ILE-GLY-LEU-MET-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 1mg / 5mg / 10mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS144189-71-9
  • Purity/Analytical Methods: >99.0%
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144189-71-9 / 4-amino-5-[[1-[[1-[[2-[[1-[[4-amino-1-[[6-amino-1-[[2-[[1-[[1-[[1-[[2-[[1-[(1-carboxy-3-methylsulfanylpropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Standard CAS: 144189-71-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144189-71-9
Multi CAS
No
Molecular Formula
C59H102N16O21S
Molecular Weight
1403.600000
Exact Mass
1402.712616
SMILES
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)N
InChI
InChI=1S/C59H102N16O21S/c1-11-30(7)47(57(93)65-25-42(79)67-36(21-28(3)4)52(88)70-35(59(95)96)18-20-97-10)75-58(94)48(31(8)12-2)74-49(85)32(9)66-41(78)24-63-51(87)34(15-13-14-19-60)69-53(89)37(22-40(62)77)72-55(91)39(27-76)68-43(80)26-64-56(92)46(29(5)6)73-54(90)38(23-45(83)84)71-50(86)33(61)16-17-44(81)82/h28-39,46-48,76H,11-27,60-61H2,1-10H3,(H2,62,77)(H,63,87)(H,64,92)(H,65,93)(H,66,78)(H,67,79)(H,68,80)(H,69,89)(H,70,88)(H,71,86)(H,72,91)(H,73,90)(H,74,85)(H,75,94)(H,81,82)(H,83,84)(H,95,96)
InChIKey
KUDAPIFTNDCCFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
97
Fraction Csp3
0.71
Rotatable bonds
49
H-bond acceptors
21
H-bond donors
20
Molar refractivity
348.75
TPSA
605.56

LogP / Solubility

WLOGP
-6.5
MLOGP
-5.58
XLogP3
-8.4
Consensus LogP
-6.83
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
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)
-15.9

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
10

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