2-(4-but-2-ynoxyphenyl)sulfinyl-6-[2-(4-thiophen-2-ylbutanoylamino)ethanoylamino]hexanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[2-(4-thiophen-2-ylbutanoylamino)ethanoylamino]hexanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-[4-(2-thienyl)butanoylamino]acetyl]amino]hexanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[1-oxo-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]ethyl]amino]hexanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-(4-thiophen-2-ylbutanoylamino)acetyl]amino]hexanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-[4-(2-thienyl)butanoylamino]acetyl]amino]hexanoic acid Formula: C26H32N2O6S2 MolecularWeight: 532.67208

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)CNC(=O)CCCC2=CC=CS2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)CNC(=O)CCCC2=CC=CS2)C(=O)O

InChI

InChI=1S/C26H32N2O6S2/c1-2-3-17-34-20-12-14-22(15-13-20)36(33)23(26(31)32)10-4-5-16-27-25(30)19-28-24(29)11-6-8-21-9-7-18-35-21/h7,9,12-15,18,23H,4-6,8,10-11,16-17,19H2,1H3,(H,27,30)(H,28,29)(H,31,32)