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

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-[2-(1H-indol-3-yl)ethanoylamino]ethanoylamino]hexanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-6-[[2-[[2-(1H-indol-3-yl)acetyl]amino]acetyl]amino]hexanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-6-[[2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-6-[[2-[[2-(1H-indol-3-yl)acetyl]amino]acetyl]amino]hexanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-6-[[2-[[2-(1H-indol-3-yl)acetyl]amino]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)CNC(=O)CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O7S/c1-2-3-16-38-21-11-13-22(14-12-21)39(36,37)25(28(34)35)10-6-7-15-29-27(33)19-31-26(32)17-20-18-30-24-9-5-4-8-23(20)24/h4-5,8-9,11-14,18,25,30H,6-7,10,15-17,19H2,1H3,(H,29,33)(H,31,32)(H,34,35)