MK 5172

CAS Registry Number®

1350514-68-9
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CAS Name

MK 5172

Molecular Formula

C38H50N6O9S

Molecular Mass

766.90

Cite this Page

MK 5172.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1350514-68-9 (retrieved 2024-03-29) (CAS RN: 1350514-68-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1

InChIKey

InChIKey=OBMNJSNZOWALQB-NCQNOWPTSA-N

SMILES

N(C(=O)[C@H]1N2C[C@@](C1)(OC=3C(=NC=4C(N3)=CC(OC)=CC4)CCCCC[C@]5([C@](OC(=O)N[C@@H]([C@@](C)(C)C)C2=O)(C5)[H])[H])[H])[C@@]6(C(NS(=O)(=O)C7CC7)=O)[C@H](C=C)C6

Canonical SMILES

O=C1OC2CC2CCCCCC=3N=C4C=CC(OC)=CC4=NC3OC5CN(C(=O)C(N1)C(C)(C)C)C(C(=O)NC6(C(=O)NS(=O)(=O)C7CC7)CC6C=C)C5

Other Names for this Substance

  • Cyclopropanecarboxamide, N-[[[(1R,2R)-2-[5-(3-hydroxy-6-methoxy-2-quinoxalinyl)pentyl]cyclopropyl]oxy]carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-, cyclic (1→2)-ether, (1R,2S)-
  • MK 5172
  • Grazoprevir

Deleted or Replaced CAS Registry Numbers

1206524-75-5, 1356446-42-8

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