DJD
概要
| 表記: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine |
| 組成式: | C12 H13 N5 O2 |
| 電荷: | 0 |
| 化学式量: | 259.264 Da |
| 分子種別: | L-peptide linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]propanoic acid |
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 | NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | MLVVYSKCLSLPPD-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc(nn1)c2ccc(C[C@H](N)C(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | Cc1nnc(nn1)c2ccc(C[CH](N)C(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nnc(nn1)c2ccc(cc2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nnc(nn1)c2ccc(cc2)CC(C(=O)O)N |
