NVR
Summary
| Name: | (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione |
| Synonyms: | SJ001034732-1 (Cis-form) |
| Formula: | C23 H21 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 419.43 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1=C(O)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C23H21N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h1-8,13-14,27H,9-12H2,(H,24,28)(H,25,26,29)/b2-1- |
| InChIKey | InChI | 1.03 | BGEWHIHKXORALY-UPHRSURJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C2N=C(NC1=O)c3cccc(OC\C=C/COc4cccc(CCNC2=O)c4)c3 |
| SMILES | CACTVS | 3.385 | OC1=C2N=C(NC1=O)c3cccc(OCC=CCOc4cccc(CCNC2=O)c4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc(c1)OC/C=C\COc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc(c1)OCC=CCOc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2 |
