Basic information
- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)N=[N+]=[N-]- InChIKey
CRVJUVNHINBTJA-LILSUDLASA-N- Molecular formula
- C24H37N5O2
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.29472544
Names & identifiers
- Preferred name
- 2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide
- IUPAC
- (3S,4aS,8aS)-2-[(2R,3S)-3-azido-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Names & synonyms
SCHEMBL16377163CRVJUVNHINBTJA-LILSUDLASA-N2 -[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S) -azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro -(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]--N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl -decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro- -(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide
Database identifiers
- PubChem CID
- 10071203
- Nikkaji
- J3.104.513D
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 636
Related reactions
12 records
Compound notes
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