§ 2
For laboratory research use only. Not for human or animal consumption.
SergRussu · CC BY-SA 4.0
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TB-500
Identity
| Field | Value |
|---|---|
| IUPAC name | (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoic acid |
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)C)O |
| InChI | InChI=1S/C38H68N10O14/c1-19(2)18-27(42-22(5)51)35(58)44-23(10-6-8-16-39)32(55)43-24(11-7-9-17-40)33(56)47-30(20(3)49)36(59)45-25(13-15-29(53)54)34(57)48-31(21(4)50)37(60)46-26(38(61)62)12-14-28(41)52/h19-21,23-27,30-31,49-50H,6-18,39-40H2,1-5H3,(H2,41,52)(H,42,51)(H,43,55)(H,44,58)(H,45,59)(H,46,60)(H,47,56)(H,48,57)(H,53,54)(H,61,62)/t20-,21-,23+,24+,25+,26+,27+,30+,31+/m1/s1 |
| InChIKey | ADKDNDYYIZUVCZ-ZQNQAVPYSA-N |
Chemistry
| Field | Value |
|---|---|
| Compound class | Heptapeptide fragment (7 aa, active fragment of Thymosin β-4) |
| Formula | C₃₈H₆₈N₁₀O₁₄ |
| Molecular weight | 889.02 |
| CAS | 885340-08-9 |
| PubChem | PubChem CID 62707662 (opens in a new tab) |
2D structure
3D structure
Computed conformer: one plausible shape of a flexible molecule, not a measured structure · RDKit
Additional properties
| Property | Value |
|---|---|
| Exact mass | 888.49164688 Da |
| Monoisotopic mass | 888.49164688 Da |
| XLogP3 | -8.6 |
| Topological polar surface area | 414 Ų |
| Hydrogen bond donors | 14 |
| Hydrogen bond acceptors | 16 |
| Rotatable bonds | 32 |
| Heavy atoms | 62 |
Also known as
Ac-Leu-Lys-Lys-Thr-Glu-Thr-Gln-OH
Identifiers
| Registry | Value |
|---|---|
| UNII | QHK6Z47GTG (opens in a new tab) |
Sources
| Source | Kind | Retrieved |
|---|---|---|
PubChem | Oct 12, 2026 | |
Computed conformer (RDKit ETKDGv3 + MMFF94) | Internal | Oct 12, 2026 |
Products containing this compound
| Product | Milligrams |
|---|---|
10 mg | |
10 mg |