Samatasvir

CAS Registry Number®

1312547-19-5

CAS Name

Samatasvir

Molecular Formula

C47H48N8O6S2

Molecular Mass

885.06

Cite this Page

Samatasvir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1312547-19-5 (retrieved 2024-11-21) (CAS RN: 1312547-19-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1

InChIKey

InChIKey=ATOLIHZIXHZSBA-BTSKBWHGSA-N

SMILES

C([C@@H](NC(OC)=O)[C@H](C)C)(=O)N1[C@H](C=2NC3=CC(C=4C5=C(C(=CS5)C6=CC=C(C=C6)C=7NC(=NC7)[C@H]8N(C([C@H](NC(OC)=O)C9=CC=CC=C9)=O)CCC8)SC4)=CC=C3N2)CCC1

Canonical SMILES

O=C(OC)NC(C(=O)N1CCCC1C2=NC=C(N2)C=3C=CC(=CC3)C4=CSC5=C4SC=C5C6=CC=C7N=C(NC7=C6)C8N(C(=O)C(NC(=O)OC)C(C)C)CCC8)C=9C=CC=CC9

Other Names for this Substance

  • Carbamic acid, N-[(1R)-2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-benzimidazol-6-yl]thieno[3,2-b]thien-3-yl]phenyl]-1H-imidazol-2-yl]-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester
  • Samatasvir
  • IDX 18719
  • IDX 719

Deleted or Replaced CAS Registry Numbers

1458063-70-1