3-[[4-[[(4-cyclohexylphenyl)-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-cyclohexylphenyl)-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-cyclohexyl-N-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexyl-N-[[2-[(3-ethylphenyl)sulfamoyl]anilino]-oxomethyl]anilino)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-cyclohexyl-N-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-cyclohexyl-N-[[2-[(3-ethylphenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propionic acid Formula: C38H42N4O6S MolecularWeight: 682.82828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2NC(=O)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2NC(=O)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C38H42N4O6S/c1-2-27-9-8-12-32(25-27)41-49(47,48)35-14-7-6-13-34(35)40-38(46)42(33-21-19-30(20-22-33)29-10-4-3-5-11-29)26-28-15-17-31(18-16-28)37(45)39-24-23-36(43)44/h6-9,12-22,25,29,41H,2-5,10-11,23-24,26H2,1H3,(H,39,45)(H,40,46)(H,43,44)