Basic information
- CAS
35959-76-3- Standard SMILES
CC(C)C(NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O- InChIKey
HDXHASICBDXUSA-UHFFFAOYSA-N- Molecular formula
- C46H44N2O3S
- Average molar mass
- 704.9 g/mol
- Monoisotopic mass
- 704.30726444
Names & identifiers
- Preferred name
- n,s-Ditritylcysteinylvaline
- IUPAC
- 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoic acid
Names & synonyms
35959-76-3n,s-ditritylcysteinylvalineNSC131643DTXSID10299620N,S-Bis(triphenylmethyl)cysteinylvalineNSC-131643
Database identifiers
- CAS
35959-76-3- PubChem CID
- 280205
- DTXSID
DTXSID10299620
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 984
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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