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

Systemtic Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(1H-indol-3-yl)ethanoylamino]hexanoic acid Openeye Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid CAS Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid Traditional Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid Formula: C28H31N3O7S MolecularWeight: 553.62664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O7S/c1-3-4-17-38-22-11-13-23(14-12-22)39(36,37)28(27(34)35,31-20(2)32)15-7-8-16-29-26(33)18-21-19-30-25-10-6-5-9-24(21)25/h5-6,9-14,19,30H,7-8,15-18H2,1-2H3,(H,29,33)(H,31,32)(H,34,35)