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

Systemtic Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[4-(1-cyclohexenyl)phenyl]-[[[2-[(3-ethylphenyl)sulfamoyl]anilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C38H40N4O6S MolecularWeight: 680.8124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2NC(=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=CC=CC=C2NC(=O)NC(C3=CC=C(C=C3)C4=CCCCC4)C5=CC=C(C=C5)C(=O)NCCC(=O)O

InChI

InChI=1S/C38H40N4O6S/c1-2-26-9-8-12-32(25-26)42-49(47,48)34-14-7-6-13-33(34)40-38(46)41-36(29-17-15-28(16-18-29)27-10-4-3-5-11-27)30-19-21-31(22-20-30)37(45)39-24-23-35(43)44/h6-10,12-22,25,36,42H,2-5,11,23-24H2,1H3,(H,39,45)(H,43,44)(H2,40,41,46)