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SergRussu · CC BY-SA 4.0

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TB-500


Identity

FieldValue
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
SMILESC[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
InChIInChI=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
InChIKeyADKDNDYYIZUVCZ-ZQNQAVPYSA-N

Chemistry

FieldValue
Compound classHeptapeptide fragment (7 aa, active fragment of Thymosin β-4)
FormulaC₃₈H₆₈N₁₀O₁₄
Molecular weight889.02
CAS885340-08-9
PubChemPubChem 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

Computed
PropertyValue
Exact mass888.49164688 Da
Monoisotopic mass888.49164688 Da
XLogP3-8.6
Topological polar surface area414 Ų
Hydrogen bond donors14
Hydrogen bond acceptors16
Rotatable bonds32
Heavy atoms62

Also known as

Ac-Leu-Lys-Lys-Thr-Glu-Thr-Gln-OH

Identifiers

Registry identifiers
RegistryValue
UNIIQHK6Z47GTG (opens in a new tab)

Sources

Data sources
SourceKindRetrieved
PubChem
Oct 12, 2026
Computed conformer (RDKit ETKDGv3 + MMFF94)
Internal
Oct 12, 2026

Products containing this compound

Listed products
ProductMilligrams
10 mg
10 mg

SergRussu · CC BY-SA 4.0

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