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CAS 92915-79-2 H-ILE-SER-GLN-ALA-VAL-HIS-ALA-ALA-HIS-ALA-GLU-ILE-ASN-GLU-ALA-GLY-ARG-OH molecular structure lightbox
CAS RN: 92915-79-2

H-ILE-SER-GLN-ALA-VAL-HIS-ALA-ALA-HIS-ALA-GLU-ILE-ASN-GLU-ALA-GLY-ARG-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS92915-79-2
  • Purity/Analytical Methods: >99.0%
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92915-79-2 / (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Standard CAS: 92915-79-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92915-79-2
Multi CAS
Yes
Molecular Formula
C74H120N26O25
Molecular Weight
1773.900000
Exact Mass
1772.891793
InChI
InChI=1S/C74H120N26O25/c1-12-33(5)55(77)70(121)98-49(29-101)69(120)94-42(16-19-50(75)102)63(114)88-39(11)62(113)99-56(32(3)4)71(122)96-47(24-41-27-81-31-85-41)67(118)89-36(8)59(110)86-37(9)61(112)95-46(23-40-26-80-30-84-40)66(117)90-38(10)60(111)92-44(18-21-54(107)108)65(116)100-57(34(6)13-2)72(123)97-48(25-51(76)103)68(119)93-43(17-20-53(105)106)64(115)87-35(7)58(109)83-28-52(104)91-45(73(124)125)15-14-22-82-74(78)79/h26-27,30-39,42-49,55-57,101H,12-25,28-29,77H2,1-11H3,(H2,75,102)(H2,76,103)(H,80,84)(H,81,85)(H,83,109)(H,86,110)(H,87,115)(H,88,114)(H,89,118)(H,90,117)(H,91,104)(H,92,111)(H,93,119)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,121)(H,99,113)(H,100,116)(H,105,106)(H,107,108)(H,124,125)(H4,78,79,82)/t33-,34-,35-,36-,37-,38-,39-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-,57-/m0/s1
InChIKey
GSSMIHQEWAQUPM-AOLPDKKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
125
Aromatic heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
58
H-bond acceptors
26
H-bond donors
28
Molar refractivity
436.5
TPSA
829.19

LogP / Solubility

WLOGP
-10.31
MLOGP
-8.88
XLogP3
-9.9
Consensus LogP
-9.7
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.59
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)
-20.86

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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