| MDL | MFCD00151715 |
| InChIKey | BFGBZOSHJJSHTQ-QSCJBEQYSA-N |
| Inchi | 3 |
| SMILES | CCCC[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CO)=O)CC1=CC=C(O)C=C1)=O)CO)=O)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N2CCC[C@H]2C(N[C@H](C(N)=O)C(C)C)=O)=O)CCCCN)=O)=O)CC3=CNC4=CC=CC=C34)=O)CCCNC(N)=N)=O)CC5=CC=CC=C5)=O)CC6=CN=CN6)=O)CCC(O)=O)=O.O=C(O)C(F)(F)F |
| LogP | 3.12050 |
| PSA | 642.98000 |
| 颜色与性状 | 固体。 |
| 溶解性 | 未确定。 |
| 密度 | 1.0000 |
| 精确分子量 | 1645.84000 |
| 氢键供体数量 | 24 |
| 氢键受体数量 | 42 |
| 可旋转化学键数量 | 65 |
| 重原子数量 | 125 |
| 复杂度 | 3360 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 12 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 0 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | -3.5 |
| 互变异构体数量 | 1000 |
| 表面电荷 | 0 |
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