N-acetyl-4-[bis(2-chloroethyl)amino]phenylalanylvaline
Chemical Structure Depiction of
N-acetyl-4-[bis(2-chloroethyl)amino]phenylalanylvaline
N-acetyl-4-[bis(2-chloroethyl)amino]phenylalanylvaline
Compound characteristics
| Compound ID: | 0277-0075 |
| Compound Name: | N-acetyl-4-[bis(2-chloroethyl)amino]phenylalanylvaline |
| Molecular Weight: | 446.37 |
| Molecular Formula: | C20 H29 Cl2 N3 O4 |
| Smiles: | CC(C)C(C(O)=O)NC(C(Cc1ccc(cc1)N(CC[Cl])CC[Cl])NC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8635 |
| logD: | -2.7657 |
| logSw: | -1.8485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.142 |
| InChI Key: | AVODXODZUNFBMI-UHFFFAOYSA-N |