L-Alanine, N-(N-(N-(1-oxodecyl)-L-alanyl)-L-alanyl)-, methyl ester
Basic information
- CAS
55728-11-5- Standard SMILES
CCCCCCCCCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC- InChIKey
PIYYTGONDRVEIM-UHFFFAOYSA-N- Molecular formula
- C20H37N3O5
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.27332129
Names & identifiers
- Preferred name
- L-Alanine, N-(N-(N-(1-oxodecyl)-L-alanyl)-L-alanyl)-, methyl ester
- IUPAC
- methyl 2-[2-[2-(decanoylamino)propanoylamino]propanoylamino]propanoate
Names & synonyms
55728-11-5L-Alanine, N-(N-(N-(1-oxodecyl)-L-alanyl)-L-alanyl)-, methyl esterDTXSID90971098L-Alanine,N-[N-[N-(1-oxodecyl)-L-alanyl]-L-alanyl]-methyl esterN-[1-Hydroxy-1-({1-hydroxy-1-[(1-methoxy-1-oxopropan-2-yl)imino]propan-2-yl}imino)propan-2-yl]decanimidic acid
Database identifiers
- CAS
55728-11-5- PubChem CID
- 143299
- DTXSID
DTXSID90971098
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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