A1BB1
Summary
| Name: | (3aR,4R,5S,5aR,10bR)-3a-hydroxy-N,8,10-trimethoxy-5a-(4-methoxyphenyl)-N,2-dimethyl-5-phenyl-3a,4,5,5a-tetrahydro-1H-[1]benzofuro[3',2':1,5]cyclopenta[1,2-d]imidazole-4-carboxamide |
| Formula: | C31 H33 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 559.61 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3aR,4R,5S,5aR,10bR)-3a-hydroxy-N,8,10-trimethoxy-5a-(4-methoxyphenyl)-N,2-dimethyl-5-phenyl-3a,4,5,5a-tetrahydro-1H-[1]benzofuro[3',2':1,5]cyclopenta[1,2-d]imidazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(OC)C(=O)C1C(c2ccccc2)C2(Oc3cc(OC)cc(OC)c3C32NC(C)=NC13O)c1ccc(OC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C31H33N3O7/c1-18-32-30-26-23(39-5)16-22(38-4)17-24(26)41-29(30,20-12-14-21(37-3)15-13-20)25(19-10-8-7-9-11-19)27(31(30,36)33-18)28(35)34(2)40-6/h7-17,25,27,36H,1-6H3,(H,32,33)/t25-,27+,29+,30-,31-/m1/s1 |
| InChIKey | InChI | 1.06 | GEGBQVSIWBLDJE-GRNIXUCMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CON(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]3(Oc4cc(OC)cc(OC)c4[C@@]35NC(=N[C@@]15O)C)c6ccc(OC)cc6 |
| SMILES | CACTVS | 3.385 | CON(C)C(=O)[CH]1[CH](c2ccccc2)[C]3(Oc4cc(OC)cc(OC)c4[C]35NC(=N[C]15O)C)c6ccc(OC)cc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=N[C@]2([C@@H]([C@H]([C@]3([C@]2(N1)c4c(cc(cc4OC)OC)O3)c5ccc(cc5)OC)c6ccccc6)C(=O)N(C)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NC2(C(C(C3(C2(N1)c4c(cc(cc4OC)OC)O3)c5ccc(cc5)OC)c6ccccc6)C(=O)N(C)OC)O |
