5-[[(2S)-1-Acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-methoxy-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-1H-indole-2-propanoic acid

CAS Registry Number®

1206880-66-1
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CAS Name

5-[[(2S)-1-Acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-methoxy-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-1H-indole-2-propanoic acid

Molecular Formula

C40H44N4O5S

Molecular Mass

692.87

Cite this Page

5-[[(2S)-1-Acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-methoxy-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-1H-indole-2-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1206880-66-1 (retrieved 2024-07-16) (CAS RN: 1206880-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H44N4O5S/c1-25(45)44-29(18-28-10-8-9-11-33(28)44)24-49-30-16-17-34-32(19-30)36(50-39(2,3)4)35(20-40(5,6)38(46)47)43(34)23-26-12-14-27(15-13-26)37-41-21-31(48-7)22-42-37/h8-17,19,21-22,29H,18,20,23-24H2,1-7H3,(H,46,47)/t29-/m0/s1

InChIKey

InChIKey=VYXWHVDEWWHDLH-LJAQVGFWSA-N

SMILES

C(N1C=2C(C(SC(C)(C)C)=C1CC(C(O)=O)(C)C)=CC(OC[C@H]3N(C(C)=O)C=4C(C3)=CC=CC4)=CC2)C5=CC=C(C=C5)C=6N=CC(OC)=CN6

Canonical SMILES

O=C(O)C(C)(C)CC1=C(SC(C)(C)C)C=2C=C(OCC3N(C(=O)C)C=4C=CC=CC4C3)C=CC2N1CC=5C=CC(=CC5)C6=NC=C(OC)C=N6

Other Names for this Substance

  • 1H-Indole-2-propanoic acid, 5-[[(2S)-1-acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-methoxy-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-
  • 5-[[(2S)-1-Acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-methoxy-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-1H-indole-2-propanoic acid
  • AM 679
  • (S)-3-(5-((1-Acetylindolin-2-yl)methoxy)-3-(tert-butylthio)-1-(4-(5-methoxypyrimidin-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid