n-Benzoylglycyllysine
Basic information
- CAS
108392-04-7- Standard SMILES
NCCCCC(NC(=O)CNC(=O)c1ccccc1)C(=O)O- InChIKey
LRCZLURYHGISRZ-UHFFFAOYSA-N- Molecular formula
- C15H21N3O4
- Average molar mass
- 307.34 g/mol
- Monoisotopic mass
- 307.15320616
Names & identifiers
- Preferred name
- n-Benzoylglycyllysine
- IUPAC
- 6-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid
- English name
- Bz-Gly-Lys-OH
- Molecular formula
- C15H21N3O4
- Molecular weight
- 307.35
Names & synonyms
BZ-GLY-D-LYS-OHn-benzoylglycyllysineHippuryl-Lys108392-04-76-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid740-63-6Hippuryl-D-LysNSC89190NSC 89190Benzoyl-Glycyl-L-LysineN-(N-Benzoylglycyl)-L-lysineBz-Gly-Lys [Hippuryl-Lysine]
Show more names
HIPPURYL-L-LYSINEHIPP-L-LYSBZ-GLY-LYSH-HIP-LYS-OHBz-Gly-Lys-OHHIPPURYL-L-LYSHIPPURYL-LYS-OHHIPPURYL-LYSINE
SCHEMBL6277441DTXSID60275939IEA39204SGK-3047NSC-89190ST1072716-amino-2-[2-(phenylformamido)acetamido]hexanoic acid
Database identifiers
- CAS
108392-04-7、740-63-6- PubChem CID
- 98208
- DTXSID
DTXSID60275939
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Melting point
- 223 · 223-226 °C
- Boiling point
- 662.255 · 662.255±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 50 mg/mL, · water: 50 mg/mL, clear, colorless
- form
- powder
- pka
- 3.314 · 3.314±0.10(predicted)
- Water Solubility
- 50 mg/mL, · water: 50mg/mL, clear, colorless
- InChI
- 1S/C15H21N3O4/c16-9-5-4-8-12(15(21)22)18-13(19)10-17-14(20)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,16H2,(H,17,20)(H,18,19)(H,21,22)
- InChIKey
- LRCZLURYHGISRZ-UHFFFAOYSA-N
- SMILES
- NCCCCC(NC(=O)CNC(=O)c1ccccc1)C(O)=O
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- 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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesBZ-GLY-LYS-OH is a useful research chemical.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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