Ombitasvir

CAS Registry Number®

1258226-87-7

CAS Name

Ombitasvir

Molecular Formula

C50H67N7O8

Molecular Mass

894.11

Cite this Page

Ombitasvir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1258226-87-7 (retrieved 2024-11-21) (CAS RN: 1258226-87-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1

InChIKey

InChIKey=PIDFDZJZLOTZTM-KHVQSSSXSA-N

SMILES

C(C)(C)(C)C1=CC=C(N2[C@@H](CC[C@H]2C3=CC=C(NC(=O)[C@H]4N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC4)C=C3)C5=CC=C(NC(=O)[C@H]6N(C([C@@H](NC(OC)=O)[C@@H](C)C)=O)CCC6)C=C5)C=C1

Canonical SMILES

O=C(OC)NC(C(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C3N(C4=CC=C(C=C4)C(C)(C)C)C(C5=CC=C(C=C5)NC(=O)C6N(C(=O)C(NC(=O)OC)C(C)C)CCC6)CC3)C(C)C

Other Names for this Substance

  • L-Prolinamide, 2,2′-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-
  • 2,2′-[[(2S,5S)-1-[4-(1,1-Dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-L-prolinamide]
  • ABT 267
  • Ombitasvir

Deleted or Replaced CAS Registry Numbers

1444832-14-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration