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CAS 99026-77-4 GLY-LYS-GLY-ALA-GLY-LEU-SER-LEU-SER-ARG-PHE-SER-TRP-GLY-ALA molecular structure lightbox
CAS RN: 99026-77-4

GLY-LYS-GLY-ALA-GLY-LEU-SER-LEU-SER-ARG-PHE-SER-TRP-GLY-ALA

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260405 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS99026-77-4
  • Purity/Analytical Methods: >99.0%
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99026-77-4 / (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]propanoic acid

Standard CAS: 99026-77-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99026-77-4
Multi CAS
Yes
Molecular Formula
C67H104N20O19
Molecular Weight
1493.700000
Exact Mass
1492.778661
InChI
InChI=1S/C67H104N20O19/c1-35(2)23-45(80-55(94)31-74-56(95)37(5)77-53(92)29-75-57(96)43(19-12-13-21-68)79-52(91)27-69)60(99)85-50(33-89)64(103)82-46(24-36(3)4)61(100)86-49(32-88)63(102)81-44(20-14-22-72-67(70)71)59(98)83-47(25-39-15-8-7-9-16-39)62(101)87-51(34-90)65(104)84-48(26-40-28-73-42-18-11-10-17-41(40)42)58(97)76-30-54(93)78-38(6)66(105)106/h7-11,15-18,28,35-38,43-51,73,88-90H,12-14,19-27,29-34,68-69H2,1-6H3,(H,74,95)(H,75,96)(H,76,97)(H,77,92)(H,78,93)(H,79,91)(H,80,94)(H,81,102)(H,82,103)(H,83,98)(H,84,104)(H,85,99)(H,86,100)(H,87,101)(H,105,106)(H4,70,71,72)/t37-,38-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
InChIKey
PKKMMDDHSZRJTF-NBRSAOMZSA-N

Computed Properties

Structural Parameters

Heavy atom count
106
Aromatic heavy atom count
15
Fraction Csp3
0.55
Rotatable bonds
48
H-bond acceptors
21
H-bond donors
23
Molar refractivity
383.44
TPSA
637.62

LogP / Solubility

WLOGP
-8.03
MLOGP
-6.91
XLogP3
-6.8
Consensus LogP
-7.25
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
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)
-17.53

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
9.5

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