[1,1′-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, 4-ethyl ester, calcium salt (2:1), (αR,γS)-

CAS Registry Number®

1369773-39-6

CAS Name

[1,1′-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, 4-ethyl ester, calcium salt (2:1), (αR,γS)-

Molecular Formula

C24H29NO5.1/2Ca

Cite this Page

[1,1′-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, 4-ethyl ester, calcium salt (2:1), (αR,γS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1369773-39-6 (retrieved 2024-11-22) (CAS RN: 1369773-39-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H29NO5.Ca/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/t17-,21+;/m1./s1

InChIKey

InChIKey=SLERTBUHPREHKD-JKSHRDEXSA-N

SMILES

C([C@H](C[C@H](C(OCC)=O)C)NC(CCC(O)=O)=O)C1=CC=C(C=C1)C2=CC=CC=C2.[Ca]

Canonical SMILES

[Ca].O=C(O)CCC(=O)NC(CC=1C=CC(=CC1)C=2C=CC=CC2)CC(C(=O)OCC)C

Other Names for this Substance

  • [1,1′-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, 4-ethyl ester, calcium salt (2:1), (αR,γS)-
  • Sacubitril hemicalcium salt
  • Sacubitril hemicalcium

CAS INSIGHTSTM
Hourglass and a clock