A1L07
Summary
| Name: | 3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide |
| Formula: | C30 H42 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 522.679 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H42N4O4/c1-6-7-8-23(33-29(37)27-19(2)26-24(32-27)17-30(3,4)18-25(26)35)28(36)31-20-9-11-21(12-10-20)38-22-13-15-34(5)16-14-22/h9-12,22-23,32H,6-8,13-18H2,1-5H3,(H,31,36)(H,33,37)/t23-/m0/s1 |
| InChIKey | InChI | 1.06 | SANTZUMQHHSQMN-QHCPKHFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc3ccc(OC4CCN(C)CC4)cc3 |
| SMILES | CACTVS | 3.385 | CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc3ccc(OC4CCN(C)CC4)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H](C(=O)Nc1ccc(cc1)OC2CCN(CC2)C)NC(=O)c3c(c4c([nH]3)CC(CC4=O)(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(C(=O)Nc1ccc(cc1)OC2CCN(CC2)C)NC(=O)c3c(c4c([nH]3)CC(CC4=O)(C)C)C |
