Basic information
- CAS
5202-91-5- Standard SMILES
CCC(C)C(NC(=O)C1CSC(C)(C)N1C=O)C(=O)OC- InChIKey
SMJHXRNGHOVVQS-UHFFFAOYSA-N- Molecular formula
- C14H24N2O4S
- Average molar mass
- 316.42 g/mol
- Monoisotopic mass
- 316.14567842
Names & identifiers
- Preferred name
- Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate
- IUPAC
- methyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]-3-methylpentanoate
Names & synonyms
5202-91-5NSC235152DTXSID50310984Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinateNSC-235152
Database identifiers
- CAS
5202-91-5- PubChem CID
- 314862
- DTXSID
DTXSID50310984
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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