Asunaprevir

CAS Registry Number®

630420-16-5

CAS Name

Asunaprevir

Molecular Formula

C35H46ClN5O9S

Molecular Mass

748.29

Cite this Page

Asunaprevir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=630420-16-5 (retrieved 2024-11-01) (CAS RN: 630420-16-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1

InChIKey

InChIKey=XRWSZZJLZRKHHD-WVWIJVSJSA-N

SMILES

N(C(=O)[C@H]1N(C([C@@H](NC(OC(C)(C)C)=O)[C@@](C)(C)C)=O)C[C@H](OC=2C3=C(C(OC)=CN2)C=CC(Cl)=C3)C1)[C@@]4(C(NS(=O)(=O)C5CC5)=O)[C@H](C=C)C4

Canonical SMILES

O=C(OC(C)(C)C)NC(C(=O)N1CC(OC2=NC=C(OC)C=3C=CC(Cl)=CC23)CC1C(=O)NC4(C(=O)NS(=O)(=O)C5CC5)CC4C=C)C(C)(C)C

Other Names for this Substance

  • Cyclopropanecarboxamide, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-, (1R,2S)-
  • (1R,2S)-N-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide
  • Asunaprevir
  • BMS 650032
  • Sunvepra

View All

Deleted or Replaced CAS Registry Numbers

1214735-08-6

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS