I6S
Summary
| Name: | 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide |
| Formula: | C24 H31 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 409.521 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H31N3O3/c1-5-6-12-17(22(29)25-16-10-8-7-9-11-16)27-23(30)21-15(2)20-18(26-21)13-24(3,4)14-19(20)28/h7-11,17,26H,5-6,12-14H2,1-4H3,(H,25,29)(H,27,30)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | LPSQWMJVEOJPJL-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc3ccccc3 |
| SMILES | CACTVS | 3.385 | CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H](C(=O)Nc1ccccc1)NC(=O)c2c(c3c([nH]2)CC(CC3=O)(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(C(=O)Nc1ccccc1)NC(=O)c2c(c3c([nH]2)CC(CC3=O)(C)C)C |
