A1IL7
Summary
| Name: | (7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-13-oxa-3,10,23-triazatricyclo[19.3.1.0^{3,7}]pentacosa-1(24),19,21(25),22-tetraene-2,9,12-trione |
| Formula: | C28 H32 Cl N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 510.024 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-13-oxa-3,10,23-triazatricyclo[19.3.1.0^{3,7}]pentacosa-1(24),19,21(25),22-tetraene-2,9,12-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H32ClN3O4/c29-23-11-9-20(10-12-23)16-25-28(35)36-14-5-3-1-2-4-7-21-15-22(19-30-18-21)27(34)32-13-6-8-24(32)17-26(33)31-25/h4,7,9-12,15,18-19,24-25H,1-3,5-6,8,13-14,16-17H2,(H,31,33)/b7-4-/t24-,25-/m1/s1 |
| InChIKey | InChI | 1.06 | QQCDLDDDFKLBFB-IWVCFUSFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(C[C@H]2NC(=O)C[C@H]3CCCN3C(=O)c4cncc(\C=C\CCCCCOC2=O)c4)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(C[CH]2NC(=O)C[CH]3CCCN3C(=O)c4cncc(C=CCCCCCOC2=O)c4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@@H]2C(=O)OCCCCC/C=C/c3cc(cnc3)C(=O)N4CCC[C@@H]4CC(=O)N2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC2C(=O)OCCCCCC=Cc3cc(cnc3)C(=O)N4CCCC4CC(=O)N2)Cl |
