Basic information
- Standard SMILES
COC(=O)CCCNC(=O)C(CSC(C)=O)Cc1ccccc1- InChIKey
RTOLLGHCIHNKFD-UHFFFAOYSA-N- Molecular formula
- C17H23NO4S
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.13477939
Names & identifiers
- Preferred name
- (+/-)-4-[[2-[(Acetylthio)methyl]-1 oxo-3-phenylpropyl]amino]butanoic acid, methyl ester
- IUPAC
- methyl 4-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]butanoate
Names & synonyms
SCHEMBL27671904RTOLLGHCIHNKFD-UHFFFAOYSA-N(+/-)-4-[[2-[(Acetylthio)methyl]-1 oxo-3-phenylpropyl]amino]butanoic acid, methyl ester(+/-)-4-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]butanoic acid, methyl ester
Database identifiers
- PubChem CID
- 13477463
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Related reactions
2 records
Compound notes
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