| PDB CCD ID: | YCW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C30 H29 N5 O3 |
| InChI: | InChI=1S/C30H29N5O3/c36-29(19-7-8-26-27(10-19)32-33-31-26)34-12-22-23(13-34)25-15-35(14-24(22)25)30(37)20-9-18-3-1-2-4-21(18)28(11-20)38-16-17-5-6-17/h1-4,7-11,17,22-25H,5-6,12-16H2,(H,31,32,33)/t22-,23+,24+,25- |
| InChIKey: | KXLCIXWJASBLBZ-UCDDGIFISA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(c1cc2ccccc2c(OCC2CC2)c1)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)cc(cc2OCC3CC3)C(=O)N4CC5C6CN(CC6C5C4)C(=O)c7ccc8c(c7)nn[nH]8 | | CACTVS 3.385 | O=C(N1C[CH]2[CH](C1)[CH]3CN(C[CH]23)C(=O)c4cc(OCC5CC5)c6ccccc6c4)c7ccc8[nH]nnc8c7 | | CACTVS 3.385 | O=C(N1C[C@@H]2[C@H](C1)[C@H]3CN(C[C@@H]23)C(=O)c4cc(OCC5CC5)c6ccccc6c4)c7ccc8[nH]nnc8c7 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)cc(cc2OCC3CC3)C(=O)N4C[C@H]5[C@@H]6CN(C[C@@H]6[C@H]5C4)C(=O)c7ccc8c(c7)nn[nH]8 |
|
| Name: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(cyclopropylmethoxy)naphthalen-2-yl]methanone |
