EYG
概要
| 表記: | {(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid |
| 別名: | CHROMOPHORE (MET-TYR-GLY) |
| 組成式: | C16 H21 N3 O5 S |
| 電荷: | 0 |
| 化学式量: | 367.42 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 | [(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-[(2R,4Z)-2-(1-azanyl-3-methylsulfanyl-propyl)-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazolidin-1-yl]ethanoic 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 | O=C(O)CN1C(=O)/C(NC1(O)C(N)CCSC)=C/c2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | CSCC[C@@H](N)[C@@]1(O)NC(=C/c2ccc(O)cc2)\C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.370 | CSCC[CH](N)[C]1(O)NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CSCCC([C@]1(N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CSCCC(C1(NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H21N3O5S/c1-25-7-6-13(17)16(24)18-12(15(23)19(16)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,13,18,20,24H,6-7,9,17H2,1H3,(H,21,22)/b12-8-/t13-,16-/m1/s1 |
| InChIKey | InChI | 1.03 | AMSPVJMTHMWJGL-UHQRNEECSA-N |
