Tyrosine, 2-((bis(2-chloroethyl)amino)methyl)-
Basic information
- CAS
78579-93-8- Standard SMILES
N[C@@H](Cc1ccc(O)cc1CN(CCCl)CCCl)C(=O)O- InChIKey
OMYXDUGAZYMAJN-ZDUSSCGKSA-N- Molecular formula
- C14H20Cl2N2O3
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.0850979
Names & identifiers
- Preferred name
- Tyrosine, 2-((bis(2-chloroethyl)amino)methyl)-
- IUPAC
- (2S)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]propanoic acid
Names & synonyms
AT 786AT-786Tyrosine, 2-((bis(2-chloroethyl)amino)methyl)-78579-93-8SCHEMBL29628908
Database identifiers
- CAS
78579-93-8- PubChem CID
- 129010916
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 315
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Compound notes
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