PCM
概要
| 表記: | 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N |
| 組成式: | C32 H42 N4 O7 |
| 電荷: | 0 |
| 化学式量: | 594.698 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxopyrrolidin-3-yl]-L-leucinamide |
| OpenEye OEToolkits | 1.5.0 | phenylmethyl N-[(2S)-4-methyl-1-[[(3R)-1-[(2S)-4-methyl-2-phenylmethoxycarbonylamino-pentanoyl]-4-oxo-pyrrolidin-3-yl]amino]-1-oxo-pentan-2-yl]carbamate |
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(N2CC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2)C(NC(=O)OCc3ccccc3)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]2CN(CC2=O)C(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3 |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH]2CN(CC2=O)C(=O)[CH](CC(C)C)NC(=O)OCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)NC1CN(CC1=O)C(=O)C(CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1 |
| InChIKey | InChI | 1.03 | GXENQLUSOCKXDN-GMQQYTKMSA-N |
