Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate
Basic information
- CAS
64949-86-6- Standard SMILES
CCOC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCNC(=O)c1ccccc1- InChIKey
UKCMXRFJTHABPU-UHFFFAOYSA-N- Molecular formula
- C34H34N2O4S
- Average molar mass
- 566.7 g/mol
- Monoisotopic mass
- 566.22392874
Names & identifiers
- Preferred name
- Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate
- IUPAC
- ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate
Names & synonyms
64949-86-6NSC267969ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoateDTXSID60313229NSC-267969Ethyl N-benzoyl-beta-alanyl-S-(triphenylmethyl)cysteinate
Database identifiers
- CAS
64949-86-6- PubChem CID
- 320386
- DTXSID
DTXSID60313229
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 766
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Compound notes
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