Omapatrilat

CAS Registry Number®

167305-00-2

CAS Name

Omapatrilat

Molecular Formula

C19H24N2O4S2

Molecular Mass

408.53

Cite this Page

Omapatrilat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=167305-00-2 (retrieved 2024-11-22) (CAS RN: 167305-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1

InChIKey

InChIKey=LVRLSYPNFFBYCZ-VGWMRTNUSA-N

SMILES

C(O)(=O)[C@H]1N2[C@](CCC1)(SCC[C@H](NC([C@H](CC3=CC=CC=C3)S)=O)C2=O)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C(S)CC=3C=CC=CC3)CCSC2CCC1

Other Names for this Substance

  • 7H-Pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid, octahydro-4-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-5-oxo-, (4S,7S,10aS)-
  • 7H-Pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid, octahydro-4-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-5-oxo-, [4S-[4α(R*),7α,10aβ]]-
  • (4S,7S,10aS)-Octahydro-4-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-5-oxo-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
  • BMS 186716
  • Omapatrilat

View All

Deleted or Replaced CAS Registry Numbers

159317-63-2