1-Ethyl (αR)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate

CAS Registry Number®

130414-30-1

CAS Name

1-Ethyl (αR)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate

Molecular Formula

C20H27F3N2O5

Molecular Mass

432.43

Cite this Page

1-Ethyl (αR)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130414-30-1 (retrieved 2024-11-25) (CAS RN: 130414-30-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H27F3N2O5/c1-2-30-18(28)16(12-11-14-8-4-3-5-9-14)25-15(17(26)27)10-6-7-13-24-19(29)20(21,22)23/h3-5,8-9,15-16,25H,2,6-7,10-13H2,1H3,(H,24,29)(H,26,27)/t15-,16+/m0/s1

InChIKey

InChIKey=YNLDFNVDZZGPHE-JKSUJKDBSA-N

SMILES

[C@@H](N[C@@H](CCCCNC(C(F)(F)F)=O)C(O)=O)(CCC1=CC=CC=C1)C(OCC)=O

Canonical SMILES

O=C(O)C(NC(C(=O)OCC)CCC=1C=CC=CC1)CCCCNC(=O)C(F)(F)F

Other Names for this Substance

  • Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl ester, (αR)-
  • Benzenebutanoic acid, α-[[1-carboxy-5-[(trifluoroacetyl)amino]pentyl]amino]-, monoethyl ester, [S-(R*,S*)]-
  • Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(trifluoroacetyl)amino]pentyl]amino]-, monoethyl ester, (αR)-
  • 1-Ethyl (αR)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate

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