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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27F3N2O5
Molecular Weight 432.434
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Ethyl (?S)-?-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate

SMILES

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

InChI

InChIKey=YNLDFNVDZZGPHE-HOTGVXAUSA-N
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

HIDE SMILES / InChI

Molecular Formula C20H27F3N2O5
Molecular Weight 432.434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:20:39 GMT 2025
Edited
by admin
on Wed Apr 02 17:20:39 GMT 2025
Record UNII
8VKD7PKU3D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Ethyl (?S)-?-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate
Systematic Name English
N2-(1S-Ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysine
Preferred Name English
(2S)-2-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}-6-[(trifluoroacetyl)amino]hexanoic acid
Systematic Name English
Benzenebutanoic acid, ?-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl ester, (?S)-
Systematic Name English
Code System Code Type Description
CAS
116169-90-5
Created by admin on Wed Apr 02 17:20:39 GMT 2025 , Edited by admin on Wed Apr 02 17:20:39 GMT 2025
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FDA UNII
8VKD7PKU3D
Created by admin on Wed Apr 02 17:20:39 GMT 2025 , Edited by admin on Wed Apr 02 17:20:39 GMT 2025
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EPA CompTox
DTXSID50437842
Created by admin on Wed Apr 02 17:20:39 GMT 2025 , Edited by admin on Wed Apr 02 17:20:39 GMT 2025
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PUBCHEM
10296454
Created by admin on Wed Apr 02 17:20:39 GMT 2025 , Edited by admin on Wed Apr 02 17:20:39 GMT 2025
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