2-[2-(2,6-diacetamidohexanoylamino)propanoyloxy]propanoic Acid
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Basic information
- CAS
65882-12-4- Standard SMILES
CC(=O)NCCCCC(NC(C)=O)C(=O)NC(C)C(=O)OC(C)C(=O)O- InChIKey
LOEWINUIHJAOMZ-UHFFFAOYSA-N- Molecular formula
- C16H27N3O7
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.18490021
Names & identifiers
- Preferred name
- 2-[2-(2,6-diacetamidohexanoylamino)propanoyloxy]propanoic Acid
- IUPAC
- 2-[2-(2,6-diacetamidohexanoylamino)propanoyloxy]propanoic acid
- English name
- AC-LYS(AC)-D-ALA-D-LACTIC ACID
- Molecular formula
- C16H27N3O7
- Molecular weight
- 373.4
Names & synonyms
2-[2-(2,6-diacetamidohexanoylamino)propanoyloxy]propanoic AcidAC1N9R0XDTXSID10402758DB-0548511-Carboxyethyl N~2~,N~6~-diacetyllysylalaninateAC-LYS(AC)-D-ALA-D-LACTIC ACIDnα,nε-diacetyl-lys-d-ala-d-lactic acidna,ne-diacetyl-lys-D-ala-D-lactic acidN,N'-Diacetyl-L-lysyl-D-alanyl-D-lactateN,N'-Diacetyl-lysinyl-D-alanyl-D-lactic acidN-ALPHA,N-EPSILON-DIACETYL-LYS-D-ALA-D-LACTIC ACIDD-Alanine, N2,N6-diacetyl-L-lysyl-, (1R)-1-carboxyethyl ester
Database identifiers
- CAS
65882-12-4- PubChem CID
- 4389916
- DTXSID
DTXSID10402758
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Physicochemical properties
- Boiling point
- 740.524 · 740.524±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 2.599 · 2.599±0.10(predicted)
- Sequence
- Ac-{Lys(Ac)}-{d-Ala}-{d-Lactic acid}
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesAc-Lys(Ac)-D-Ala-D-Lactic acid is a depsipeptide substrate for penicillin-sensitive D-alanine carboxypeptidases (DD-carboxypeptidases)[1].
Related reactions
0 records
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Compound notes
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