種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CON(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C)C(=O)NC2=O |
SMILES | CACTVS | 3.341 | CN(C)OC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON(C)C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CON(C)C)O |
InChI | InChI | 1.03 | InChI=1S/C12H19N3O5/c1-7-5-15(12(18)13-11(7)17)10-4-8(16)9(20-10)6-19-14(2)3/h5,8-10,16H,4,6H2,1-3H3,(H,13,17,18)/t8-,9+,10+/m0/s1 |
InChIKey | InChI | 1.03 | MSMXDWDOLFNALA-IVZWLZJFSA-N |