| Synonyms |
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, 7-[21-[1-[6-[(3β)-cholest-5-en-3-yloxy]hexyl]-1H-1,2,3-triazol-4-yl]-5,8,11,14,17,20-hexaoxa-2-azaheneicosanoate] |
| IUPAC Name |
(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1-[2-[2-[2-[2-[2-[2-[[1-[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]hexyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid |
| Molecular Weight |
1189.52 |
| Molecular Formula |
C61H104N8O15 |
| Canonical SMILES |
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCCCCN5C=C(N=N5)COCCOCCOCCOCCOCCOCCNC(=O)OC(C6C(C(C=C(O6)C(=O)O)N=C(N)N)NC(=O)C)C(CO)O)C)C |
| InChI |
InChI=1S/C61H104N8O15/c1-41(2)12-11-13-42(3)48-16-17-49-47-15-14-44-36-46(18-20-60(44,5)50(47)19-21-61(48,49)6)82-24-10-8-7-9-23-69-38-45(67-68-69)40-81-35-34-80-33-32-79-31-30-78-29-28-77-27-26-76-25-22-64-59(75)84-55(52(72)39-70)56-54(65-43(4)71)51(66-58(62)63)37-53(83-56)57(73)74/h14,37-38,41-42,46-52,54-56,70,72H,7-13,15-36,39-40H2,1-6H3,(H,64,75)(H,65,71)(H,73,74)(H4,62,63,66)/t42-,46+,47+,48-,49+,50+,51+,52-,54-,55-,56-,60+,61-/m1/s1 |
| InChIKey |
HHSAMDIFEWHABO-CENFOOLCSA-N |
| Purity |
≥98% (HPLC) |
| Solubility |
In vitro:
10 mM in DMSO |
| Appearance |
Solid powder |
| Storage |
Store at -20°C |
| Complexity |
2070 |
| Exact Mass |
1188.76211464 |
| Target |
Influenza Virus |
| XLogP3-AA |
5.3 |
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