A1EQ9
Summary
| Name: | (S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl (2-(4-methylpiperazin-1-yl)-2-oxoethyl)carbamate |
| Formula: | C30 H33 N5 O7 |
| Formal charge: | 0 |
| Formula weight: | 575.612 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H33N5O7/c1-4-18-19-12-17(42-29(39)31-14-25(36)34-10-8-33(3)9-11-34)6-7-23(19)32-26-20(18)15-35-24(26)13-22-21(27(35)37)16-41-28(38)30(22,40)5-2/h6-7,12-13,40H,4-5,8-11,14-16H2,1-3H3,(H,31,39)/t30-/m0/s1 |
| InChIKey | InChI | 1.06 | VULZRDFNTXNECE-PMERELPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)NCC(=O)N6CCN(C)CC6)cc15)[C@@](O)(CC)C(=O)OC4 |
| SMILES | CACTVS | 3.385 | CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)NCC(=O)N6CCN(C)CC6)cc15)[C](O)(CC)C(=O)OC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)NCC(=O)N6CCN(CC6)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)NCC(=O)N6CCN(CC6)C |
