Name | Paritaprevir |
Iupac Chemical Name | (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide |
Synonyms | ABT-450 |
Molecular Formula | C40H43N7O7S |
Molecular Weight | 765.88 |
Smile | C1(CC1)S(=O)(=O)NC(=O)[C@]12NC([C@H]3N(C([C@H](CCCCC\C=C/[C@@H]1C2)NC(=O)C2=NC=C(N=C2)C)=O)C[C@@H](C3)OC=3N=C2C=CC=CC2=C2C=CC=CC32)=O |
InChiKey | UAUIUKWPKRJZJV-QPLHLKROSA-N |
InChi | InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1 |
CAS Number | 1216941-48-8 |
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