ledipasvir diacetone (Q27896233)

Ledipasvir diacetone (English)

retrieved

21 November 2016

isomeric SMILES

CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC.CC(=O)C.CC(=O)C

1 reference

InChI=1S/C49H54F2N8O6.2C3H6O/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;2*1-3(2)4/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);2*1-2H3/t29-,30+,38-,39-,40-,41-;;/m0../s1

Ledipasvir diacetone (English)

retrieved

21 November 2016

Identifiers

InChI

1 reference

LXKDKHCANHWUPC-YGWQTYEPSA-N

Ledipasvir diacetone (English)

retrieved

21 November 2016

InChIKey

1 reference

Global Substance Registration System

Ledipasvir diacetone (English)

21 November 2016

1 reference

UNII

Z6GY125S9S

ledipasvir diacetone (English)

21 November 2016

1 reference

Methyl [(2S)-1-{(1R,3S,4S)-3-[6-(9,9-difluoro-7-{2-[(6S)-5-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-5-azaspiro[2.4]hept-6-yl]-1H-imidazol-5-yl}-9H-fluoren-2-yl)-1H-benzimidazol-2-yl]-2-azabi (English)

21 November 2016

1 reference