Basic information
- Standard SMILES
CCOC(=O)[C@@H](CCCCC1CCN(C(=O)OCc2ccccc2)CC1)N[C@H]1COc2ccccc2N(CC(=O)OCc2ccccc2)C1=O- InChIKey
DWYRZNBELFQRDD-SAIUNTKASA-N- Molecular formula
- C39H47N3O8
- Average molar mass
- 685.8 g/mol
Names & identifiers
- Preferred name
- benzyl 3(S)-[5-(1-benzyloxycarbonyl-4-piperidyl)-1(R)-ethoxycarbonylpentyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-5-acetate
- IUPAC
- benzyl 4-[(5R)-6-ethoxy-6-oxo-5-[[(3S)-4-oxo-5-(2-oxo-2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]hexyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL7282965DWYRZNBELFQRDD-SAIUNTKASA-Nbenzyl 3(S)-[5-(1-benzyloxycarbonyl-4-piperidyl)-1(R)-ethoxycarbonylpentyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-5-acetate
Database identifiers
- PubChem CID
- 53783607
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
4 records
Compound notes
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