K0Y
概要
表記: | methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate |
組成式: | C8 H10 N2 O4 |
電荷: | 0 |
化学式量: | 198.176 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate |
OpenEye OEToolkits | 2.0.6 | methyl 2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]ethanoate |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n1c(C(NCC(OC)=O)=O)cc(C)o1 |
InChI | InChI | 1.03 | InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12) |
InChIKey | InChI | 1.03 | FPAQMEYCJIMDCC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CNC(=O)c1cc(C)on1 |
SMILES | CACTVS | 3.385 | COC(=O)CNC(=O)c1cc(C)on1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)C(=O)NCC(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)C(=O)NCC(=O)OC |