Basic information
- Standard SMILES
COC(=O)[C@H](CC(C)C)NC(=O)c1cc2ccccc2s1- InChIKey
CMJZLGRCBHOJJG-LBPRGKRZSA-N- Molecular formula
- C16H19NO3S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.10856464
Names & identifiers
- Preferred name
- n-Benzo[b]thiophene-2-ylcarbonyl-l-leucine methyl ester
- IUPAC
- methyl (2S)-2-(1-benzothiophene-2-carbonylamino)-4-methylpentanoate
Names & synonyms
SCHEMBL7241995CHEMBL3717599CMJZLGRCBHOJJG-LBPRGKRZSA-NBDBM253660US9459250, A4n-benzo[b]thiophene-2-ylcarbonyl-l-leucine methyl ester
Database identifiers
- PubChem CID
- 32044690
- ChEMBL
CHEMBL3717599
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
2 records
Compound notes
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