GZG
概要
| 表記: | 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid |
| 組成式: | C25 H27 N5 O4 |
| 電荷: | 0 |
| 化学式量: | 461.513 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 | 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-[2-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]ethyl-(phenylmethyl)amino]butanoic 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 | C(N(Cc1ccccc1)CCCC(=O)O)CN3c4c(N=C2C(NC(=O)N=C23)=O)cc(c(c4)C)C |
| InChI | InChI | 1.03 | InChI=1S/C25H27N5O4/c1-16-13-19-20(14-17(16)2)30(23-22(26-19)24(33)28-25(34)27-23)12-11-29(10-6-9-21(31)32)15-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,31,32)(H,28,33,34) |
| InChIKey | InChI | 1.03 | UHJZDXGBGFJXSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCN(CCCC(O)=O)Cc4ccccc4)c2cc1C |
| SMILES | CACTVS | 3.385 | Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCN(CCCC(O)=O)Cc4ccccc4)c2cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4 |
