Ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Basic information
- CAS
14504-87-1- Standard SMILES
CCOC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(C)=O- InChIKey
ATGVXCNZDUAFQZ-UHFFFAOYSA-N- Molecular formula
- C26H32Cl2N4O6
- Average molar mass
- 567.5 g/mol
- Monoisotopic mass
- 566.1698901
Names & identifiers
- Preferred name
- Ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
- IUPAC
- ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Names & synonyms
14504-87-1NSC240739ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoateDTXSID90311258NSC-240739Ethyl N-acetyl-4-nitrophenylalanyl-4-[bis(2-chloroethyl)amino]phenylalaninate
Database identifiers
- CAS
14504-87-1- PubChem CID
- 315488
- DTXSID
DTXSID90311258
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 761
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…