L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1)

CAS Registry Number®

85921-53-5

CAS Name

L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1)

Molecular Formula

C19H30N2O5S.1/2Ca

Cite this Page

L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85921-53-5 (retrieved 2024-11-22) (CAS RN: 85921-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C19H30N2O5S.Ca/c1-12(17(23)21-10-6-9-15(21)18(24)25)11-27-19(26)13(2)20-16(22)14-7-4-3-5-8-14;/h12-15H,3-11H2,1-2H3,(H,20,22)(H,24,25);/t12-,13-,15+;/m1./s1

InChIKey

InChIKey=UAMNFLAPYAELQA-MSXVLYCHSA-N

SMILES

C([C@@H](CSC([C@H](NC(=O)C1CCCCC1)C)=O)C)(=O)N2[C@H](C(O)=O)CCC2.[Ca]

Canonical SMILES

[Ca].O=C(O)C1N(C(=O)C(C)CSC(=O)C(NC(=O)C2CCCCC2)C)CCC1

Other Names for this Substance

  • L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1)
  • L-Proline, 1-[3-[[2-[(cyclohexylcarbonyl)amino]-1-oxopropyl]thio]-2-methyl-1-oxopropyl]-, calcium salt (2:1), [R-(R*,S*)]-
  • MC 838
  • Altiopril calcium
  • Moveltipril calcium

View All

Deleted or Replaced CAS Registry Numbers

94731-46-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration