Ciluprevir

CAS Registry Number®

300832-84-2
No image available.

CAS Name

Ciluprevir

Molecular Formula

C40H50N6O8S

Molecular Mass

774.93

Cite this Page

Ciluprevir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=300832-84-2 (retrieved 2024-04-25) (CAS RN: 300832-84-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7+/t24-,27-,29+,33+,40-/m1/s1

InChIKey

InChIKey=PJZPDFUUXKKDNB-XMCUAKTQSA-N

SMILES

C(O)(=O)[C@]12[C@@](C1)(/C=C/CCCCC[C@H](NC(OC3CCCC3)=O)C(=O)N4[C@](C(=O)N2)(C[C@@H](OC=5C6=C(N=C(C5)C=7N=C(NC(C)C)SC7)C=C(OC)C=C6)C4)[H])[H]

Canonical SMILES

O=C(OC1CCCC1)NC2C(=O)N3CC(OC4=CC(=NC5=CC(OC)=CC=C54)C=6N=C(SC6)NC(C)C)CC3C(=O)NC7(C(=O)O)CC7C=CCCCCC2

Other Names for this Substance

  • Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid, 6-[[(cyclopentyloxy)carbonyl]amino]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-[[7-methoxy-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-5,16-dioxo-, (2R,6S,12Z,13aS,14aR,16aS)-
  • (2R,6S,12Z,13aS,14aR,16aS)-6-[[(Cyclopentyloxy)carbonyl]amino]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-[[7-methoxy-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
  • BILN 2061ZW
  • Ciluprevir
  • BILN 2061

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