| PDB CCD ID: | Y3K |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C32 H39 N5 O5 |
| InChI: | InChI=1S/C32H39N5O5/c1-35-28-15-22(4-5-26(28)34-32(35)40)30(38)37-17-23-6-10-36(11-7-24(23)18-37)31(39)25-14-27(21-2-3-21)33-29(16-25)42-19-20-8-12-41-13-9-20/h4-5,14-16,20-21,23-24H,2-3,6-13,17-19H2,1H3,(H,34,40) |
| InChIKey: | USOBLGWPXWJKIW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN1c2cc(ccc2NC1=O)C(=O)N3CC4CCN(CCC4C3)C(=O)c5cc(nc(c5)OCC6CCOCC6)C7CC7 | | ACDLabs 12.01 | O=C1Nc2ccc(cc2N1C)C(=O)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | | OpenEye OEToolkits 2.0.7 | CN1c2cc(ccc2NC1=O)C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)c5cc(nc(c5)OCC6CCOCC6)C7CC7 | | CACTVS 3.385 | CN1C(=O)Nc2ccc(cc12)C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7 | | CACTVS 3.385 | CN1C(=O)Nc2ccc(cc12)C(=O)N3C[CH]4CCN(CC[CH]4C3)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7 |
|
| Name: | 6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one |
