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CAS 1610056-01-3 Peptide T TFA molecular structure lightbox
CAS RN: 1610056-01-3

Peptide T TFA

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1610056-01-3
  • Purity/Analytical Methods: >99.0%
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1610056-01-3 / (2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid;2,2,2-trifluoroacetic acid

Standard CAS: 1610056-01-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1610056-01-3
Multi CAS
No
Molecular Formula
C37H56F3N9O18
Molecular Weight
971.900000
Exact Mass
971.369540
SMILES
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C35H55N9O16.C2HF3O2/c1-13(36)28(52)40-22(12-45)31(55)41-25(15(3)47)33(57)43-26(16(4)48)34(58)42-24(14(2)46)32(56)39-21(11-23(37)51)29(53)38-20(10-18-6-8-19(50)9-7-18)30(54)44-27(17(5)49)35(59)60;3-2(4,5)1(6)7/h6-9,13-17,20-22,24-27,45-50H,10-12,36H2,1-5H3,(H2,37,51)(H,38,53)(H,39,56)(H,40,52)(H,41,55)(H,42,58)(H,43,57)(H,44,54)(H,59,60);(H,6,7)/t13-,14+,15+,16+,17+,20-,21-,22-,24-,25-,26-,27-;/m0./s1
InChIKey
KECACQNLYDHUJS-ZBMRRKLOSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
24
H-bond acceptors
17
H-bond donors
17
Molar refractivity
217.92
TPSA
468.79

LogP / Solubility

WLOGP
-7.22
MLOGP
-6.26
XLogP3
-7.22
Consensus LogP
-6.9
Log S (ESOL)
0.2
Class (ESOL)
Highly soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-13.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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