2-(4-but-2-ynoxyphenyl)sulfanyl-6-[2-(2,2-diphenylethanoylamino)ethanoylamino]hexanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[2-(2,2-diphenylethanoylamino)ethanoylamino]hexanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[[2-[(2,2-diphenylacetyl)amino]acetyl]amino]hexanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-6-[[1-oxo-2-[(1-oxo-2,2-diphenylethyl)amino]ethyl]amino]hexanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[[2-[(2,2-diphenylacetyl)amino]acetyl]amino]hexanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-6-[[2-[(2,2-diphenylacetyl)amino]acetyl]amino]hexanoic acid Formula: C32H34N2O5S MolecularWeight: 558.68776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C32H34N2O5S/c1-2-3-22-39-26-17-19-27(20-18-26)40-28(32(37)38)16-10-11-21-33-29(35)23-34-31(36)30(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-15,17-20,28,30H,10-11,16,21-23H2,1H3,(H,33,35)(H,34,36)(H,37,38)