| PDB CCD ID: | NVR |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C23 H21 N3 O5 |
| InChI: | 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: | BGEWHIHKXORALY-UPHRSURJSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1=C(O)C(=O)N2 | | CACTVS 3.385 | OC1=C2N=C(NC1=O)c3cccc(OC\C=C/COc4cccc(CCNC2=O)c4)c3 | | OpenEye OEToolkits 2.0.7 | c1cc2cc(c1)OCC=CCOc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2 | | CACTVS 3.385 | OC1=C2N=C(NC1=O)c3cccc(OCC=CCOc4cccc(CCNC2=O)c4)c3 | | OpenEye OEToolkits 2.0.7 | c1cc2cc(c1)OC/C=C\COc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2 |
|
| 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;
SJ001034732-1 (Cis-form) |
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