2-[[2-(Tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioic acid
Basic information
- CAS
35959-80-9- Standard SMILES
O=C(O)CC(NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O- InChIKey
DFKHYOVXCDTUOR-UHFFFAOYSA-N- Molecular formula
- C45H40N2O5S
- Average molar mass
- 720.9 g/mol
- Monoisotopic mass
- 720.26579355
Names & identifiers
- Preferred name
- 2-[[2-(Tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioic acid
- IUPAC
- 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioic acid
Names & synonyms
35959-80-9NSC131642DTXSID70957375NSC-131642N-{1-Hydroxy-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)sulfanyl]propylidene}aspartic acid
Database identifiers
- CAS
35959-80-9- PubChem CID
- 280204
- DTXSID
DTXSID70957375
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,050
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Compound notes
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