Remikiren

CAS Registry Number®

126222-34-2
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CAS Name

Remikiren

Molecular Formula

C33H50N4O6S

Molecular Mass

630.84

Cite this Page

Remikiren.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=126222-34-2 (retrieved 2024-04-19) (CAS RN: 126222-34-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1

InChIKey

InChIKey=UXIGZRQVLGFTOU-VQXQMPIVSA-N

SMILES

[C@H](NC([C@H](CC1=CN=CN1)NC([C@H](CC2=CC=CC=C2)CS(C(C)(C)C)(=O)=O)=O)=O)(CC3CCCCC3)[C@H]([C@@H](O)C4CC4)O

Canonical SMILES

O=C(NC(CC1CCCCC1)C(O)C(O)C2CC2)C(NC(=O)C(CC=3C=CC=CC3)CS(=O)(=O)C(C)(C)C)CC4=CN=CN4

Other Names for this Substance

  • 1H-Imidazole-5-propanamide, N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-α-[[(2S)-2-[[(1,1-dimethylethyl)sulfonyl]methyl]-1-oxo-3-phenylpropyl]amino]-, (αS)-
  • 1H-Imidazole-4-propanamide, N-[1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-α-[[2-[[(1,1-dimethylethyl)sulfonyl]methyl]-1-oxo-3-phenylpropyl]amino]-, [1S-[1R*[R*(R*)],2S*,3R*]]-
  • 1H-Imidazole-4-propanamide, N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-α-[[(2S)-2-[[(1,1-dimethylethyl)sulfonyl]methyl]-1-oxo-3-phenylpropyl]amino]-, (αS)-
  • (αS)-N-[(1S,2R,3S)-1-(Cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-α-[[(2S)-2-[[(1,1-dimethylethyl)sulfonyl]methyl]-1-oxo-3-phenylpropyl]amino]-1H-imidazole-5-propanamide
  • Ro 42-5892

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Deleted or Replaced CAS Registry Numbers

135669-48-6

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