| PDB CCD ID: | A1EEF |
| Number of entries in BioLiP: | 28 |
| Chemical formula: | C30 H30 N6 O3 |
| InChI: | InChI=1S/C30H30N6O3/c37-28-13-14-35(30(39)32-16-21-7-2-1-3-8-21)27-19-34(18-23-11-6-10-22-9-4-5-12-25(22)23)29(38)26(36(27)28)15-24-17-31-20-33-24/h1-12,17,20,26-27H,13-16,18-19H2,(H,31,33)(H,32,39)/t26-,27+/m0/s1 |
| InChIKey: | ZXICHRIOFQGVQP-RRPNLBNLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1CCN([C@H]2CN(Cc3cccc4ccccc34)C(=O)[C@H](Cc5[nH]cnc5)N12)C(=O)NCc6ccccc6 | | CACTVS 3.385 | O=C1CCN([CH]2CN(Cc3cccc4ccccc34)C(=O)[CH](Cc5[nH]cnc5)N12)C(=O)NCc6ccccc6 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)CNC(=O)N2CCC(=O)N3C2CN(C(=O)C3Cc4cnc[nH]4)Cc5cccc6c5cccc6 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)CNC(=O)N2CCC(=O)N3[C@@H]2CN(C(=O)[C@@H]3Cc4cnc[nH]4)Cc5cccc6c5cccc6 |
|
| Name: | (6~{S},9~{a}~{S})-6-(1~{H}-imidazol-5-ylmethyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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