Basic information
- Standard SMILES
O=C(NCc1cccc(O)c1)c1ccc(C(=O)N[C@@H](CNC(=O)c2cccs2)C(=O)O)c(Cl)c1- InChIKey
SEIXGOIIRWZZEV-SFHVURJKSA-N- Molecular formula
- C23H20ClN3O6S
- Average molar mass
- 501.9 g/mol
Names & identifiers
- Preferred name
- N-[2-chloro-4-[[[(3-hydroxyphenyl)methyl]amino]carbonyl]benzoyl]-3-(thiophene-2-carbonyl)amino-L-alanine
- IUPAC
- (2S)-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid
Names & synonyms
SCHEMBL3867931SEIXGOIIRWZZEV-SFHVURJKSA-NN-[2-chloro-4-[[[(3-hydroxyphenyl)methyl]amino]carbonyl]benzoyl]-3-(thiophene-2-carbonyl)amino-L-alanine
Database identifiers
- PubChem CID
- 60115134
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 756
Related reactions
12 records
Compound notes
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