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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)O)(NC(=O)CC1=CNC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CC)NC(=O)C

Isomeric SMILES

CCCC(C(C(=O)O)(NC(=O)CC1=CNC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CC)NC(=O)C

InChI

InChI=1S/C28H31N3O7S/c1-4-6-16-38-21-12-14-22(15-13-21)39(36,37)28(27(34)35,25(9-5-2)30-19(3)32)31-26(33)17-20-18-29-24-11-8-7-10-23(20)24/h7-8,10-15,18,25,29H,5,9,16-17H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)