Basic information
- Standard SMILES
CCOC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]1C- InChIKey
AAMMIMKLTZWRAO-NEPJUHHUSA-N- Molecular formula
- C16H28N2O5
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- (3S-cis)-Hexahydro-3-[[(1,1-dimethylethoxy)-carbonyl]amino]-7-methyl-2-oxo-1H-azepine-1-acetic acid, ethyl ester
- IUPAC
- ethyl 2-[(3S,7R)-7-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetate
Names & synonyms
AAMMIMKLTZWRAO-NEPJUHHUSA-N(3S-cis)-Hexahydro-3-[[(1,1-dimethylethoxy)-carbonyl]amino]-7-methyl-2-oxo-1H-azepine-1-acetic acid, ethyl ester(3S-cis)-Hexahydro-3-[[(1,1-dimethylethoxy)carbonyl]amino]-7-methyl-2-oxo-1H-azepine-1-acetic acid, ethyl ester
Database identifiers
- PubChem CID
- 14927378
- Nikkaji
- J731.719K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
7 records
Linked notes
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