Merresectine E
AlkaPlorer ID: AK007144
Synonym: None
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-(3-methylbut-2-enyl)benzoate
Structure
SMILES: CC(=CCC1=C(C=CC(=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)O)C
InChI: InChI=1S/C20H27NO3/c1-13(2)4-5-14-10-15(6-9-19(14)22)20(23)24-18-11-16-7-8-17(12-18)21(16)3/h4,6,9-10,16-18,22H,5,7-8,11-12H2,1-3H3/t16-,17+,18?
InChIKey: WDYARZUQOMDODE-JWTNVVGKSA-N
Reference
PubChem CID: 91751197
Source
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Properties Information
Molecule Weight: 329.44000000000005
TPSA？: 49.769999999999996
MolLogP？: 3.682900000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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