compound introduction
(放线菌素C)是一种环缩肽。
CAS number:512-64-1 molecular formula:C51H64N12O12S2
(放线菌素C)是一种环缩肽。
| Chinese alias | - | ||
| English alias | C 6388 | GNF-PF-1958 | echinomycin (undefined stereochemistry) | N,N'-(11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl)bis(quinoxalin | ||
| CAS number | 512-64-1 | molecular formula | C51H64N12O12S2 |
| molecular weight | 1101.3 | Exact mass | ≥98% |
| PSA | 352 | logp | 2.7 |
| CAS | 512-64-1 |
| HMDB ID | HMDB0251691 |
| ChEBI ID | 220035 |
| Wikidata | Q5332566 |
| ChEMBL ID | CHEMBL263730 |
| NSC Number | NSC Number: NSC13502 |
| PubChem CID | 3197 |
| DSSTox Substance ID | DTXSID5031266 |
| Metabolomics Workbench ID | 98879 |
| PubChem Reference Collection SID | 516576398 |
| XLogP3 | XLogP3-AA: 2.7 |
| 复杂性 | 2200 |
| Exact Mass | 1100.42080787 |
| 形式电荷 | 0 |
| 重原子计数 | 77 |
| Molecular Weight | 1101.3 |
| Monoisotopic Mass | 1100.42080787 |
| 可旋转键计数 | 7 |
| 氢键供体计数 | 4 |
| 氢键受体计数 | 18 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 352 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 9 |
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