2-[({3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl}oxy)carbonyl]-1-methyl-4-{[(8-methyl-6-{[(2E)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl)oxy]carbonyl}-3-phenylcyclobutane-1-carboxylic acid
AlkaPlorer ID: AK321192
Synonym: None
IUPAC Name: 2-[(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl)oxycarbonyl]-1-methyl-4-[[8-methyl-6-(2-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl]oxycarbonyl]-3-phenylcyclobutane-1-carboxylic acid
Structure
SMILES: CC=C(C)C(=O)OC1CC2CC(OC(=O)C3C(C4=CC=CC=C4)C(C(=O)OC4CC5CC(O)CC4N5C)C3(C)C(=O)O)CC1N2C
InChI: InChI=1S/C35H46N2O9/c1-6-18(2)31(39)45-27-15-21-13-23(17-25(27)37(21)5)44-32(40)29-28(19-10-8-7-9-11-19)30(35(29,3)34(42)43)33(41)46-26-14-20-12-22(38)16-24(26)36(20)4/h6-11,20-30,38H,12-17H2,1-5H3,(H,42,43)
InChIKey: GASKASBXVJUTPJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus grahamii | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 638.7580000000002
TPSA？: 142.91
MolLogP？: 2.9026000000000023
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|