Elbasvir

CAS Registry Number®

1370468-36-2

CAS Name

Elbasvir

Molecular Formula

C49H55N9O7

Molecular Mass

882.02

Cite this Page

Elbasvir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1370468-36-2 (retrieved 2024-11-21) (CAS RN: 1370468-36-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1

InChIKey

InChIKey=BVAZQCUMNICBAQ-PZHYSIFUSA-N

SMILES

C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@H](C=2NC(C=3C=C4C(N5C(C=6C(O[C@H]5C7=CC=CC=C7)=CC(=CC6)C=8NC(=NC8)[C@H]9N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC9)=C4)=CC3)=CN2)CCC1

Canonical SMILES

O=C(OC)NC(C(=O)N1CCCC1C2=NC=C(N2)C=3C=CC4=C(OC(C=5C=CC=CC5)N6C=7C=CC(=CC7C=C46)C8=CN=C(N8)C9N(C(=O)C(NC(=O)OC)C(C)C)CCC9)C3)C(C)C

Other Names for this Substance

  • Carbamic acid, N,N′-[[(6S)-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C′-dimethyl ester
  • Elbasvir
  • MK 8742

Deleted or Replaced CAS Registry Numbers

1444832-51-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration