PVG
概要
| 表記: | Phycoviolobilin, green light-absorbing form |
| 組成式: | C33 H40 N4 O6 |
| 電荷: | 0 |
| 化学式量: | 588.694 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 1.7.6 | 3-[5-[[(2S)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]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 |
| InChI | InChI | 1.03 | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,15,27,35H,7-12,14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,28-15-/t27-/m0/s1 |
| InChIKey | InChI | 1.03 | YWHXTEHCIWOHBT-STWNLGFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC1=C(C)C(=O)N[C@H]1Cc2[nH]c(\C=C3/N=C(\C=C/4NC(=O)C(=C/4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C |
| SMILES | CACTVS | 3.370 | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C |
