![2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4R,6R,9S)- structure, CAS 1414933-82-6](/structures/210000/197024_2_1414933_82_6.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1414933-82-6 |
| Catalog No. | 2A-1195331 |
| Chinese Name | 利托那韦杂质17 |
| Molecular Formula | C37H48N6O5S2 |
| Molecular Weight | 720.94 |
| Purity | 98.00 |
| Density | 1.239±0.06 g/cm3(Predicted) |
| Boiling Point | 947.0±65.0 °C(Predicted) |
| PubChem ID | 172650943 |
| SMILES | CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 |
| InChI | InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31+,32-,33+/m1/s1 |
| InChI Key | NCDNCNXCDXHOMX-PHTQWASBSA-N |
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