Basic information
- Standard SMILES
COC(=O)c1csc(NC(=O)[C@@H](N)[C@@H](C)c2ccccc2)n1- InChIKey
OZXOJWTUUMJUTG-CABZTGNLSA-N- Molecular formula
- C15H17N3O3S
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-2-(2-amino-3-phenyl-butyrylamino)-thiazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 2-[[(2S,3S)-2-amino-3-phenylbutanoyl]amino]-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL4684418OZXOJWTUUMJUTG-CABZTGNLSA-N(2S,3S)-2-(2-amino-3-phenyl-butyrylamino)-thiazole-4-carboxylic acid methyl ester2-((2S,3S)-2-amino-3-phenyl-butyrylamino)-thiazole-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 86603390
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
4 records
Linked notes
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