Basic information
- CAS
35959-72-9- Standard SMILES
O=C(O)CNC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
DOIPUVJGKFTBJE-UHFFFAOYSA-N- Molecular formula
- C43H38N2O3S
- Average molar mass
- 662.8 g/mol
- Monoisotopic mass
- 662.26031425
Names & identifiers
- Preferred name
- 2-[[2-(Tritylamino)-3-tritylsulfanylpropanoyl]amino]acetic acid
- IUPAC
- 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]acetic acid
Names & synonyms
NSC131645NSC-13164535959-72-9
Database identifiers
- CAS
35959-72-9- PubChem CID
- 280207
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 907
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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