| PDB CCD ID: | I0L |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C29 H36 N4 O4 |
| InChI: | InChI=1S/C29H36N4O4/c1-5-29(6-2)17-25(34)33(27(30)32-29)22-13-14-36-23-12-11-18(15-20(22)23)26(35)31-21-16-28(3,4)37-24-10-8-7-9-19(21)24/h7-12,15,21-22H,5-6,13-14,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t21-,22+/m0/s1 |
| InChIKey: | ZSZSSSHEMYULPX-FCHUYYIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCC1(CC)CC(=O)N([CH]2CCOc3ccc(cc23)C(=O)N[CH]4CC(C)(C)Oc5ccccc45)C(=N)N1 | | CACTVS 3.385 | CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(cc23)C(=O)N[C@H]4CC(C)(C)Oc5ccccc45)C(=N)N1 | | OpenEye OEToolkits 2.0.7 | [H]/N=C/1\NC(CC(=O)N1[C@@H]2CCOc3c2cc(cc3)C(=O)N[C@H]4CC(Oc5c4cccc5)(C)C)(CC)CC | | ACDLabs 12.01 | N=C1NC(CC)(CC)CC(=O)N1C1CCOc2ccc(cc21)C(=O)NC1CC(C)(C)Oc2ccccc21 | | OpenEye OEToolkits 2.0.7 | CCC1(CC(=O)N(C(=N)N1)C2CCOc3c2cc(cc3)C(=O)NC4CC(Oc5c4cccc5)(C)C)CC |
|
| Name: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide |
| ChEMBL: | CHEMBL5171401 |
