(3S,4R,7S,11S)-4-[(2R,3R,4R,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-11-ethyl-3,7-dimethyl-azacyclotetradecan-2-one
Basic information
- Standard SMILES
CC[C@@H]1CCCNC(=O)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](N)[C@H]2O)CC[C@@H](C)CCC1- InChIKey
ZRJBXPCQRSLIKK-IPNGAWGGSA-N- Molecular formula
- C23H44N2O5
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.32502251
Names & identifiers
- Preferred name
- (3S,4R,7S,11S)-4-[(2R,3R,4R,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-11-ethyl-3,7-dimethyl-azacyclotetradecan-2-one
- IUPAC
- (3S,4R,7S,11S)-4-[(2R,3R,4R,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-11-ethyl-3,7-dimethyl-azacyclotetradecan-2-one
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 520
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Compound notes
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