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SergRussu · CC BY 4.0

All photos

Cartalax


Identity

FieldValue
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
SMILESC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)N
InChIInChI=1S/C12H19N3O8/c1-5(13)10(20)14-6(2-3-8(16)17)11(21)15-7(12(22)23)4-9(18)19/h5-7H,2-4,13H2,1H3,(H,14,20)(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyKXEVYGKATAMXJJ-ACZMJKKPSA-N

Chemistry

FieldValue
Compound classTripeptide (3 aa, Khavinson bioregulator)
FormulaC₁₂H₁₉N₃O₈
Molecular weight333.29
CAS85806-95-7
PubChemPubChem CID 87815447 (opens in a new tab)

2D structure

3D structure

Additional properties

Computed
PropertyValue
Exact mass333.11721457 Da
Monoisotopic mass333.11721457 Da
XLogP3-4.9
Topological polar surface area196 Ų
Hydrogen bond donors6
Hydrogen bond acceptors9
Rotatable bonds10
Heavy atoms23

Also known as

H-Asp-Glu-Asp-OH, Ala-Glu-Asp, T-31 peptide, H-Ala-Glu-Asp-OH

Identifiers

Registry identifiers
RegistryValue
ChEBICHEBI:158137 (opens in a new tab)

Sources

Data sources
SourceKindRetrieved
PubChem
Oct 12, 2026

Products containing this compound

Listed products
ProductMilligrams
entire fill

SergRussu · CC BY 4.0

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