Benzyl N,S-bis(triphenylmethyl)cysteinylprolinate
Basic information
- CAS
35959-87-6- Standard SMILES
O=C(OCc1ccccc1)C1CCCN1C(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
BEHNBKWCWKCQRR-UHFFFAOYSA-N- Molecular formula
- C53H48N2O3S
- Average molar mass
- 793 g/mol
- Monoisotopic mass
- 792.33856457
Names & identifiers
- Preferred name
- Benzyl N,S-bis(triphenylmethyl)cysteinylprolinate
- IUPAC
- benzyl 1-[2-(tritylamino)-3-tritylsulfanylpropanoyl]pyrrolidine-2-carboxylate
Names & synonyms
35959-87-6NSC128285Benzyl N,S-bis(triphenylmethyl)cysteinylprolinateDTXSID90957377NSC-128285
Database identifiers
- CAS
35959-87-6- PubChem CID
- 278577
- DTXSID
DTXSID90957377
Properties
Computed structural properties
- XLogP
- 11.3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,170
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Compound notes
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