種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)N)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O |
SMILES | CACTVS | 3.341 | C[CH](NC(=O)[CH](C)NC(=O)OC(C)(C)C)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)N)NC(=O)C(C)NC(=O)OC(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7-/m0/s1 |
InChIKey | InChI | 1.03 | OAXZAMSRJZWMEV-BQBZGAKWSA-N |