Basic information
- Standard SMILES
CC(=O)N1CSC[C@@H]1C(=O)O.COC(=O)[C@@](C)(N)Cc1ccc(O)cc1- InChIKey
QRUGTKUAMSBHSW-DTXXPKLHSA-N- Molecular formula
- C17H24N2O6S
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- N-Acetyl-D-thioproline alpha-methyl-L-tyrosine methyl ester
- IUPAC
- (4S)-3-acetyl-1,3-thiazolidine-4-carboxylic acid;methyl (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate
Names & synonyms
QRUGTKUAMSBHSW-DTXXPKLHSA-NN-Acetyl-D-thioproline alpha-methyl-L-tyrosine methyl ester
Database identifiers
- PubChem CID
- 131721908
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 418
Related reactions
1 records
Compound notes
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