| PDB CCD ID: | A1EEG |
| Number of entries in BioLiP: | 28 |
| Chemical formula: | C30 H34 N4 O3 |
| InChI: | InChI=1S/C30H34N4O3/c1-21(2)17-26-29(36)32(19-24-13-8-12-23-11-6-7-14-25(23)24)20-27-33(16-15-28(35)34(26)27)30(37)31-18-22-9-4-3-5-10-22/h3-14,21,26-27H,15-20H2,1-2H3,(H,31,37)/t26-,27+/m0/s1 |
| InChIKey: | HABVPTFNPWNZNJ-RRPNLBNLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3ccccc3)Cc4cccc5c4cccc5 | | OpenEye OEToolkits 2.0.7 | CC(C)C[C@H]1C(=O)N(C[C@H]2N1C(=O)CCN2C(=O)NCc3ccccc3)Cc4cccc5c4cccc5 | | CACTVS 3.385 | CC(C)C[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccccc5 | | CACTVS 3.385 | CC(C)C[C@@H]1N2[C@H](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccccc5 |
|
| Name: | (6~{S},9~{a}~{S})-6-(2-methylpropyl)-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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