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CAS 75790-53-3 H-TYR-GLY-GLY-PHE-LEU-ARG-ARG-ILE-OH molecular structure lightbox
CAS RN: 75790-53-3

H-TYR-GLY-GLY-PHE-LEU-ARG-ARG-ILE-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS75790-53-3
  • Purity/Analytical Methods: >99.0%
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75790-53-3 / (2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid

Standard CAS: 75790-53-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75790-53-3
Multi CAS
Yes
Molecular Formula
C46H72N14O10
Molecular Weight
981.200000
Exact Mass
980.555585
InChI
InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33?,34-,35-,38-/m0/s1
InChIKey
WRPLGMBDXVBPEG-ZFBBIHQWSA-N

Computed Properties

Structural Parameters

Heavy atom count
70
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
31
H-bond acceptors
12
H-bond donors
14
Molar refractivity
261.97
TPSA
416.05

LogP / Solubility

WLOGP
-2.55
MLOGP
-2.15
XLogP3
-3.7
Consensus LogP
-2.8
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.64
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)
-10.52

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
7.5

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