Alanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-(p-chlorophenyl)-, DL-
Basic information
- CAS
55327-79-2- Standard SMILES
Cc1ccc(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1N(CCCl)CCCl- InChIKey
JHRZCEMKIJKSDN-UHFFFAOYSA-N- Molecular formula
- C21H23Cl3N2O3
- Average molar mass
- 457.8 g/mol
- Monoisotopic mass
- 456.077426
Names & identifiers
- Preferred name
- Alanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-(p-chlorophenyl)-, DL-
- IUPAC
- 2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid
Names & synonyms
BRN 4029216N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-p-chlorophenylalanine55327-79-2DL-N-(3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-(p-chlorophenyl)alanineDL-Phenylalanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-4-chloro-Alanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-(p-chlorophenyl)-, DL-RefChem:318001DL-Phenylalanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-4-chloro-(9CI)DTXSID70970665AKOS024354197ST50980627N-[{3-[Bis(2-chloroethyl)amino]-4-methylphenyl}(hydroxy)methylidene]-4-chlorophenylalanine
Show more names
2-({3-[bis(2-chloroethyl)amino]-4-methylphenyl}carbonylamino)-3-(4-chloropheny l)propanoic acid
Database identifiers
- CAS
55327-79-2- PubChem CID
- 41413
- DTXSID
DTXSID70970665
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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