Gemopatrilat

CAS Registry Number®

160135-92-2
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CAS Name

Gemopatrilat

Molecular Formula

C19H26N2O4S

Molecular Mass

378.49

Cite this Page

Gemopatrilat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=160135-92-2 (retrieved 2024-03-29) (CAS RN: 160135-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173-177 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H26N2O4S/c1-19(2)10-6-9-14(18(25)21(19)12-16(22)23)20-17(24)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,24)(H,22,23)/t14-,15-/m0/s1

InChIKey

InChIKey=YRSVDSQRGBYVIY-GJZGRUSLSA-N

SMILES

C(C(O)=O)N1C(=O)[C@@H](NC([C@H](CC2=CC=CC=C2)S)=O)CCCC1(C)C

Canonical SMILES

O=C(O)CN1C(=O)C(NC(=O)C(S)CC=2C=CC=CC2)CCCC1(C)C

Other Names for this Substance

  • 1H-Azepine-1-acetic acid, hexahydro-6-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2,2-dimethyl-7-oxo-, (6S)-
  • 1H-Azepine-1-acetic acid, hexahydro-6-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-2,2-dimethyl-7-oxo-, [S-(R*,R*)]-
  • (6S)-Hexahydro-6-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid
  • BMS 189921
  • Gemopatrilat

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