Ethyl N-acetylalanyl-4-[bis(2-chloroethyl)amino]phenylalaninate
Basic information
- CAS
13331-69-6- Standard SMILES
CCOC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)C(C)NC(C)=O- InChIKey
MRUQREKKEWZUFF-UHFFFAOYSA-N- Molecular formula
- C20H29Cl2N3O4
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 445.1535118
Names & identifiers
- Preferred name
- Ethyl N-acetylalanyl-4-[bis(2-chloroethyl)amino]phenylalaninate
- IUPAC
- ethyl 2-(2-acetamidopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Names & synonyms
13331-69-6NSC240742DTXSID30330286Ethyl N-acetylalanyl-4-[bis(2-chloroethyl)amino]phenylalaninateNSC-240742
Database identifiers
- CAS
13331-69-6- PubChem CID
- 428610
- DTXSID
DTXSID30330286
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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