L-Lysinamide, bis(trifluoroacetate)
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
Also Known As: L-Lysinamide, bis(trifluoroacetate)|Trifluoroacetic acid--valylleucyl-N-{4-[bis(2-chloroethyl)amino]phenyl}lysinamide (1/1)|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
| Molecular Formula | C29H47Cl2F3N6O5 |
|---|---|
| Molecular Weight | 686.2937 g/mol |
| LogP | 3.6704 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 686.2937 |
| Monoisotopic Mass | 686.2937 |
| Heavy Atoms | 45 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 84559-75-1 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(C(C)C)N.C(=O)(C(F)(F)F)O |
| InChIKey | HEDDKWVATGQJEB-UHFFFAOYSA-N |
Product Overview
L-Lysinamide, bis(trifluoroacetate) (CAS 84559-75-1), with molecular formula C29H47Cl2F3N6O5 and molecular weight 686.2937 g/mol. 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.
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