Basic information
- Standard SMILES
CCOC(=O)[C@@H](CCC1CCCCC1)N[C@H]1COc2ccccc2N(CC(=O)O)C1=O.Cl- InChIKey
KSAXKIVCUFENQF-URBRKQAFSA-N- Molecular formula
- C23H33ClN2O6
- Average molar mass
- 469 g/mol
- Monoisotopic mass
- 468.2027145
Names & identifiers
- Preferred name
- 3(S)-[1(R)-ethoxycarbonyl-3-cyclohexylpropyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-5-acetic acid hydrochloride
- IUPAC
- 2-[(3S)-3-[[(2R)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid;hydrochloride
Names & synonyms
SCHEMBL7302425KSAXKIVCUFENQF-URBRKQAFSA-N3(S)-[1(R)-ethoxycarbonyl-3-cyclohexylpropyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-5-acetic acid hydrochloride
Database identifiers
- PubChem CID
- 70049869
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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