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CAS 110590-64-2 TYR-ILE-GLY-SER-ARG molecular structure lightbox
CAS RN: 110590-64-2

TYR-ILE-GLY-SER-ARG

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250611 100mg Out of stock 5-7 business days Inquiry
Batchno.20250909 1mg In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250624 25mg In stock Shandong Inquiry
Batchno.20260701 5mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS110590-64-2
  • Purity/Analytical Methods: >99.0%
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110590-64-2 / (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Tyr-ile-gly-ser-arg | YIGSR | tyrosyl-isoleucyl-glycyl-seryl-arginine

Standard CAS: 110590-64-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110590-64-2
Multi CAS
Yes
Molecular Formula
C26H42N8O8
Molecular Weight
594.700000
Exact Mass
594.312560
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C26H42N8O8/c1-3-14(2)21(34-22(38)17(27)11-15-6-8-16(36)9-7-15)24(40)31-12-20(37)32-19(13-35)23(39)33-18(25(41)42)5-4-10-30-26(28)29/h6-9,14,17-19,21,35-36H,3-5,10-13,27H2,1-2H3,(H,31,40)(H,32,37)(H,33,39)(H,34,38)(H,41,42)(H4,28,29,30)/t14-,17-,18-,19-,21-/m0/s1
InChIKey
MWOGMBZGFFZBMK-LJZWMIMPSA-N
Synonyms
Tyr-ile-gly-ser-arg YIGSR tyrosyl-isoleucyl-glycyl-seryl-arginine RefChem:192744 H-Tyr-Ile-Gly-Ser-Arg-OH

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
18
H-bond acceptors
9
H-bond donors
10
Molar refractivity
152.68
TPSA
284.58

LogP / Solubility

WLOGP
-2.99
MLOGP
-2.58
XLogP3
-5.3
Consensus LogP
-3.62
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

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)
-8.47

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
6.5

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