IDN 6556

CAS Registry Number®

254750-02-2
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CAS Name

IDN 6556

Molecular Formula

C26H27F4N3O7

Molecular Mass

569.50

Cite this Page

IDN 6556.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=254750-02-2 (retrieved 2024-07-21) (CAS RN: 254750-02-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1

InChIKey

InChIKey=SCVHJVCATBPIHN-SJCJKPOMSA-N

SMILES

N(C(C(N[C@H](C(N[C@H](C(COC1=C(F)C(F)=CC(F)=C1F)=O)CC(O)=O)=O)C)=O)=O)C2=C(C(C)(C)C)C=CC=C2

Canonical SMILES

O=C(NC=1C=CC=CC1C(C)(C)C)C(=O)NC(C(=O)NC(C(=O)COC=2C(F)=C(F)C=C(F)C2F)CC(=O)O)C

Other Names for this Substance

  • L-Alaninamide, N-[2-(1,1-dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-
  • N-[2-(1,1-Dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-L-alaninamide
  • IDN 6556
  • PF 03491390
  • Emricasan

Deleted or Replaced CAS Registry Numbers

624747-15-5