Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJT3V1
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| Ligand Name |
(2r,6s,12z,13as,14ar,16as)-6-[(Tert-Butoxycarbonyl)amino]-14a-[(Cyclopropylsulfonyl)carbamoyl]-5,16-Dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-Hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1,4]diazacyclopentadecin-2-Yl 4-Fluoro-2h-Isoindole-2-Carboxylate
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| Synonyms |
(2r,6s,12z,13as,14ar,16as)-6-[(Tert-Butoxycarbonyl)amino]-14a-[(Cyclopropylsulfonyl)carbamoyl]-5,16-Dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-Hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1,4]diazacyclopentadecin-2-Yl 4-Fluoro-2h-Isoindole-2-Carboxylate; TSV; 3su0; 3su1; 3su2; ITMN-191; danoprevir; Q27466737; (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate; (2R,6S,12Z,13as,14ar,16as)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[E]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carbox
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| Structure |
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Download2D MOL
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| Formula |
C35H44FN5O9S
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC(=O)N4C=C5C=CC=C(C5=C4)F)C(=O)NS(=O)(=O)C6CC6
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| InChI |
1S/C35H44FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,18,20,22-24,27-28H,4-6,8,13-17,19H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1
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| InChIKey |
YUWURHBDLJOUAP-JSZLBQEHSA-N
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| PubChem Compound ID | ||||
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