Basic information
- Standard SMILES
CC(C)c1ccc(-c2csc(N[C@@H](Cc3cccc(Cl)c3)C(=O)O)n2)cc1- InChIKey
XFJAHEBLRPPQHR-SFHVURJKSA-N- Molecular formula
- C21H21ClN2O2S
- Average molar mass
- 400.9 g/mol
Names & identifiers
- Preferred name
- (S)-3-(3-Chloro-phenyl)-2-[4-(4-isopropyl-phenyl)-thiazol-2-ylamino]-propionic acid
- IUPAC
- (2S)-3-(3-chlorophenyl)-2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
Names & synonyms
SCHEMBL3453619XFJAHEBLRPPQHR-SFHVURJKSA-N(S)-3-(3-Chloro-phenyl)-2-[4-(4-isopropyl-phenyl)-thiazol-2-ylamino]-propionic acid
Database identifiers
- PubChem CID
- 59520374
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
Related reactions
1 records
Compound notes
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