PRD_002335
概要
| 名称: | Linear precursor of pseudoxylallemycin A |
| 組成式: | C32 H46 N4 O5 |
| 化学式量: | 566.731 |
| 分子種別: | peptide-like |
| ポリマー配列: | MLE, PHE, MLE, PHE |
| 非ポリマー要素: | |
| BIRDクラス: | Antibiotic |
| PDB中の表現: | polymer |
| 表記: | Mle-Phe-Mle-Phe. Linear precursor of pseudoxylallemycin A. The peptide is linear, unlike Mle-Phe-Mle-Phe Pseudoxylallemycin A that is cyclic. |
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(2~{S})-4-methyl-2-[methyl-[(2~{S})-2-[[(2~{S})-4-methyl-2-(methylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-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_CANONICAL | CACTVS | 3.385 | CN[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](CC(C)C)C(=O)N[CH](Cc1ccccc1)C(=O)N(C)[CH](CC(C)C)C(=O)N[CH](Cc2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)N(C)C(CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)NC |
