Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cnn(c2)C)=O |
InChI | InChI | 1.03 | InChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | XIZQLYZWBXQWFR-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2ccc(cc2)[C@@H](NC(=O)C(C)(C)C)C(=O)NO |
SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2ccc(cc2)[CH](NC(=O)C(C)(C)C)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)C(=O)NC(c1ccc(cc1)c2cnn(c2)C)C(=O)NO |