3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]-4-methyl-phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]-4-methyl-phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]-4-methyl-phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[4-(1-cyclohexenyl)phenyl]-[[[2-[(3-ethylphenyl)sulfamoyl]-4-methylanilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]-4-methylphenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]-4-methyl-phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C39H42N4O6S MolecularWeight: 694.83898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)NC(=O)NC(C3=CC=C(C=C3)C4=CCCCC4)C5=CC=C(C=C5)C(=O)NCCC(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)NC(=O)NC(C3=CC=C(C=C3)C4=CCCCC4)C5=CC=C(C=C5)C(=O)NCCC(=O)O

InChI

InChI=1S/C39H42N4O6S/c1-3-27-8-7-11-33(25-27)43-50(48,49)35-24-26(2)12-21-34(35)41-39(47)42-37(30-15-13-29(14-16-30)28-9-5-4-6-10-28)31-17-19-32(20-18-31)38(46)40-23-22-36(44)45/h7-9,11-21,24-25,37,43H,3-6,10,22-23H2,1-2H3,(H,40,46)(H,44,45)(H2,41,42,47)