Daclatasvir SRSS Isomer
Product Code
TRC-D101535-250MG
CAS Number
Product Format
Neat
Molecular Formula
C40 H50 N8 O6
Molecular Weight
738.875
Product Categories
Product Information
Chemical Data
Analyte Name
Daclatasvir SRSS Isomer
CAS Number
1009117-28-5
Molecular Formula
C40 H50 N8 O6
Molecular Weight
738.875
Accurate Mass
738.385
SMILES
COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)[C@H]6CCCN6C(=O)C(NC(=O)OC)C(C)C
InChI
InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32+,33?,34?
IUPAC
methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(2R)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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