PRD_000655
概要
| 名称: | N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine |
| 別名: | ZGP(O)LL |
| 組成式: | C21 H33 N2 O8 P |
| 電荷: | 0 |
| 化学式量: | 472.469 |
| 分子種別: | peptide-like |
| ポリマー配列: | PHQ, PGL, 1LU, LEU |
| 非ポリマー要素: | |
| BIRDクラス: | Enzyme Inhibitor |
| PDB中の表現: | single molecule |
| Families: | FAM_001022 |
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[[(2S)-2-(hydroxy-(phenylmethoxycarbonylaminomethyl)phosphoryl)oxy-4-methyl-pentanoyl]amino]-4-methyl-pentanoic 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 | 10.04 | O=C(O)C(NC(=O)C(OP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)O[P@](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=O)[CH](CC(C)C)O[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C21H33N2O8P/c1-14(2)10-17(20(25)26)23-19(24)18(11-15(3)4)31-32(28,29)13-22-21(27)30-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | WPUXZWKBJRFUJC-ROUUACIJSA-N |
