2-(4-but-2-ynoxyphenyl)sulfinyl-6-[2-(1H-indol-3-yl)ethanoylamino]hexanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[2-(1H-indol-3-yl)ethanoylamino]hexanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C26H28N2O5S/c1-2-3-16-33-20-11-13-21(14-12-20)34(32)24(26(30)31)10-6-7-15-27-25(29)17-19-18-28-23-9-5-4-8-22(19)23/h4-5,8-9,11-14,18,24,28H,6-7,10,15-17H2,1H3,(H,27,29)(H,30,31)