![L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[1-[(acetyloxy)methyl]-2-hydroxypropyl]-, cyclic (2→7)-disulfide, [R-(R*,R*)]- (9CI) structure, CAS 133304-81-1](/structures/210000/198653_1_133304_81_1.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 133304-81-1 |
| Catalog No. | 2A-1196858 |
| Chinese Name | L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[1-[(ace |
| Molecular Formula | C51H68N10O11S2 |
| Molecular Weight | 1061.28 |
| Purity | 98.00 |
| Density | 1.38±0.1 g/cm3(Predicted) |
| Boiling Point | 1409.9±65.0 °C(Predicted) |
| PubChem ID | 470309210 |
| SMILES | CC(=O)OCC(NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1)C(C)O |
| InChI | InChI=1S/C51H68N10O11S2/c1-29(62)41(26-72-31(3)64)58-50(70)43-28-74-73-27-42(59-45(65)36(53)22-32-14-6-4-7-15-32)49(69)56-39(23-33-16-8-5-9-17-33)47(67)57-40(24-34-25-54-37-19-11-10-18-35(34)37)48(68)55-38(20-12-13-21-52)46(66)61-44(30(2)63)51(71)60-43/h4-11,14-19,25,29-30,36,38-44,54,62-63H,12-13,20-24,26-28,52-53H2,1-3H3,(H,55,68)(H,56,69)(H,57,67)(H,58,70)(H,59,65)(H,60,71)(H,61,66) |
| InChI Key | KCIXTRWISIYAAS-MAKOQCITSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Transport Info | Product Name: O-Acetyl Octreotide |
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