9R3
2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid
Find entries where: 9R3
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
---|---|
Name | 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid |
Identifiers | 2-[(1~{R},5~{S})-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid |
Formula | C29 H27 Cl2 N3 O4 S |
Molecular Weight | 584.513 |
Type | NON-POLYMER |
Isomeric SMILES | c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4[C@@H]5CCC[C@H]4CN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl |
InChI | InChI=1S/C29H27Cl2N3O4S/c30-20-5-2-6-21(31)24(20)25-19(27(38-33-25)15-7-8-15)14-37-26-17-3-1-4-18(26)13-34(12-17)29-32-22-10-9-16(28(35)36)11-23(22)39-29/h2,5-6,9-11,15,17-18,26H,1,3-4,7-8,12-14H2,(H,35,36)/t17-,18+,26- |
InChIKey | LRGRHLPTAIKGDV-JSCPRHNGSA-N |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 66 |
Chiral Atom Count | 3 |
Bond Count | 72 |
Aromatic Bond Count | 21 |