6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid
Basic information
- CAS
113969-25-8- Standard SMILES
NCCCCC(NC(=O)CNC(=O)Cc1ccccc1)C(=O)O- InChIKey
VPCYMTNCRVUYFU-UHFFFAOYSA-N- Molecular formula
- C16H23N3O4
- Average molar mass
- 321.37 g/mol
- Monoisotopic mass
- 321.16885622
Names & identifiers
- Preferred name
- 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid
- IUPAC
- 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
- English name
- N-Phenylacetyl-Gly-Lys
- Molecular formula
- C16H23N3O4
- Molecular weight
- 321.37
Names & synonyms
N-Phenylacetyl-Gly-Lys6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid113969-25-8Phenylac-Gly-Lys-OHN-(Phenylacetyl)glycyllysineSCHEMBL4601261DTXSID30399272DA-56801L-Lysine, N-(2-phenylacetyl)glycyl-N2-[N-(Phenylacetyl)glycyl]-L-lysine(S)-6-Amino-2-(2-(2-phenylacetamido)acetamido)hexanoic acid(2S)-6-amino-2-(2-(2-phenylacetamido)acetamido)hexanoic acid
Database identifiers
- CAS
113969-25-8- PubChem CID
- 4096543
- DTXSID
DTXSID30399272
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 673.2 · 673.2±55.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.32 · 3.32±0.10(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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