Vaniprevir

CAS Registry Number®

923590-37-8
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CAS Name

Vaniprevir

Molecular Formula

C38H55N5O9S

Molecular Mass

757.94

Cite this Page

Vaniprevir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=923590-37-8 (retrieved 2024-04-27) (CAS RN: 923590-37-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175-177 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1

InChIKey

InChIKey=KUQWGLQLLVFLSM-ONAXAZCASA-N

SMILES

N(C(=O)[C@H]1N2C[C@@](C1)(OC(=O)N3CC=4C(C3)=CC=CC4CCCCC(C)(C)COC(=O)N[C@@H]([C@](C)(C)C)C2=O)[H])[C@@]5(C(NS(=O)(=O)C6CC6)=O)[C@H](CC)C5

Canonical SMILES

O=C1OCC(C)(C)CCCCC=2C=CC=C3C2CN(C(=O)OC4CN(C(=O)C(N1)C(C)(C)C)C(C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5CC)C4)C3

Other Names for this Substance

  • Cyclopropanecarboxamide, N-[[[6-(2-carboxy-2,3-dihydro-1H-isoindol-4-yl)-2,2-dimethylhexyl]oxy]carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethyl-, (1→2)-lactone, (1R,2R)-
  • MK 7009
  • Vaniprevir
  • Vanihep

Deleted or Replaced CAS Registry Numbers

1216963-56-2

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