Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc(cc1OC)NC(C(N)CC(C)C)=O)c2ocnc2 |
InChI | InChI | 1.03 | InChI=1S/C16H21N3O3/c1-10(2)6-13(17)16(20)19-11-4-5-12(14(7-11)21-3)15-8-18-9-22-15/h4-5,7-10,13H,6,17H2,1-3H3,(H,19,20)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | SJVFDHNKYMMITG-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1c2ocnc2 |
SMILES | CACTVS | 3.385 | COc1cc(NC(=O)[CH](N)CC(C)C)ccc1c2ocnc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)Nc1ccc(c(c1)OC)c2cnco2)N |