SLD
概要
| 表記: | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide |
| 組成式: | C25 H28 F N5 O6 |
| 電荷: | 0 |
| 化学式量: | 513.518 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 | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide |
| OpenEye OEToolkits | 1.5.0 | (3Z)-N-[(E)-5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-phenyl]pent-4-enyl]-3-(4-methyl-2,6-dioxo-pyrimidin-5-ylidene)propanamide |
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(NCC3OC(=O)N(c2ccc(/C=C/CCCNC(=O)C/C=C1/C(=NC(=O)NC1=O)C)c(F)c2)C3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(\C=C\CCCNC(=O)C\C=C/3C(=NC(=O)NC/3=O)C)c(F)c2 |
| SMILES | CACTVS | 3.341 | CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(C=CCCCNC(=O)CC=C3C(=NC(=O)NC3=O)C)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC\1=NC(=O)NC(=O)/C1=C\CC(=O)NCCC\C=C\c2ccc(cc2F)N3C[C@@H](OC3=O)CNC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=NC(=O)NC(=O)C1=CCC(=O)NCCCC=Cc2ccc(cc2F)N3CC(OC3=O)CNC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C25H28FN5O6/c1-15-20(23(34)30-24(35)29-15)9-10-22(33)27-11-5-3-4-6-17-7-8-18(12-21(17)26)31-14-19(37-25(31)36)13-28-16(2)32/h4,6-9,12,19H,3,5,10-11,13-14H2,1-2H3,(H,27,33)(H,28,32)(H,30,34,35)/b6-4+,20-9-/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | UDBPSKMSYCUBIU-MTQXBESRSA-N |
