
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 34503-87-2 |
| Catalog No. | 2A-1193276 |
| Chinese Name | 6-Methylheptanoyl-L-A2bu-L-Thr-L-A2bu-cyclo(L-A2bu*-L-A2bu-D-Phe-L-Leu-L-A2bu-L-A2bu-L-Thr-) |
| Synonyms | EINECS 215-768-4; 99SJO09VH2; polymyxin B2 |
| Molecular Formula | C55H96N16O13 |
| Molecular Weight | 1189.450 |
| Purity | 98.00 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 1572.3±65.0 °C at 760 mmHg |
| PubChem ID | 37431020 |
| SMILES | CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O |
| InChI | InChI=1S/C55H96N16O13/c1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78/h7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79)/t32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1 |
| InChI Key | SGPYLFWAQBAXCZ-RUDZPDEXSA-N |
| Transport Info | Product Name: Polymyxin B2 |
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