Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)C(=O)O1- InChIKey
QFRIPSHCRURKGP-QFIPXVFZSA-N- Molecular formula
- C26H31N3O6
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.22128572
Names & identifiers
- Preferred name
- (-)-phenylmethyl 7-[(5S)-5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate
- IUPAC
- benzyl 7-[(5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL6296095QFRIPSHCRURKGP-QFIPXVFZSA-N(-)-phenylmethyl 7-[(5S)-5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate(-)-phenylmethyl 7-[(5S)-5-[[[(1.1-dimethylethoxy)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate(-)-phenylmethyl 7-[(5S)-5[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate
Database identifiers
- PubChem CID
- 69734605
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 763
Related reactions
1 records
Compound notes
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