Basic information
- Standard SMILES
CC(=O)SCC1(C(=O)NCC(O)C(=O)O)CCc2ccccc2C1- InChIKey
MBBAKXCSRGGYMC-UHFFFAOYSA-N- Molecular formula
- C17H21NO5S
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- N-[[1,2,3,4-tetrahydro-2-[(acetylthio)methyl]-2-naphthalenyl]carbonyl]-isoserine
- IUPAC
- 3-[[2-(acetylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]-2-hydroxypropanoic acid
Names & synonyms
SCHEMBL7291761MBBAKXCSRGGYMC-UHFFFAOYSA-NN-[[1,2,3,4-tetrahydro-2-[(acetylthio)methyl]-2-naphthalenyl]carbonyl]-isoserine
Database identifiers
- PubChem CID
- 19789945
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
1 records
Compound notes
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