Methyl Des(cyclopropylsulfonyl)-2-ethenylcyclopropylamino-Grazoprevir Carboxylate

Analyte Name

(33R,35S,91R,92R,5S)-5-(tert-Butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxylate

CAS Number

1206524-84-6

Molecular Formula

C30 H40 N4 O7

Molecular Weight

568.66

Accurate Mass

568.2897

SMILES

COC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCCCc4nc5ccc(OC)cc5nc4O2)C(C)(C)C

InChI

InChI=1S/C30H40N4O7/c1-30(2,3)25-27(35)34-16-19(15-23(34)28(36)39-5)40-26-21(31-20-12-11-18(38-4)14-22(20)32-26)10-8-6-7-9-17-13-24(17)41-29(37)33-25/h11-12,14,17,19,23-25H,6-10,13,15-16H2,1-5H3,(H,33,37)/t17-,19-,23+,24-,25-/m1/s1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat