Basic information
- CAS
84559-75-1- Standard SMILES
CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)Nc1ccc(N(CCCl)CCCl)cc1.O=C(O)C(F)(F)F- InChIKey
HEDDKWVATGQJEB-UHFFFAOYSA-N- Molecular formula
- C29H47Cl2F3N6O5
- Average molar mass
- 687.6 g/mol
- Monoisotopic mass
- 686.2937085
Names & identifiers
- Preferred name
- L-Lysinamide, bis(trifluoroacetate)
- IUPAC
- 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-N-[4-[bis(2-chloroethyl)amino]phenyl]hexanamide;2,2,2-trifluoroacetic acid
Names & synonyms
NSC32464984559-75-1L-Lysinamide, bis(trifluoroacetate)DTXSID60330870NSC-324649Trifluoroacetic acid--valylleucyl-N-{4-[bis(2-chloroethyl)amino]phenyl}lysinamide (1/1)
Database identifiers
- CAS
84559-75-1- PubChem CID
- 433182
- DTXSID
DTXSID60330870
Properties
Computed structural properties
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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