Basic information
- Standard SMILES
COc1ccc2cc(CC(=O)N[C@@H](C)C(=O)OCC(C)C)sc2c1- InChIKey
FIEXGJWSRIGUIT-LBPRGKRZSA-N- Molecular formula
- C18H23NO4S
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.13477939
Names & identifiers
- Preferred name
- N-[(6methoxybenzothiophen-2-yl)acetyl]alanine iso-butyl ester
- IUPAC
- 2-methylpropyl (2S)-2-[[2-(6-methoxy-1-benzothiophen-2-yl)acetyl]amino]propanoate
Names & synonyms
SCHEMBL4413826FIEXGJWSRIGUIT-LBPRGKRZSA-NN-[(6-methoxybenzothiophen-2-yl)acetyl]alanine iso-butyl esterN-[(6methoxybenzothiophen-2-yl)acetyl]alanine iso-butyl ester
Database identifiers
- PubChem CID
- 22894977
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 443
Related reactions
2 records
Compound notes
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