2-methyl-2-[[4-[4-(2-phenylazanylethanoylamino)phenyl]cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 2-methyl-2-[[4-[4-(2-phenylazanylethanoylamino)phenyl]cyclohexyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[4-[(2-anilinoacetyl)amino]phenyl]cyclohexanecarbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[4-[4-[(2-anilino-1-oxoethyl)amino]phenyl]cyclohexyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[4-[4-[(2-anilinoacetyl)amino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[4-[4-[(2-anilinoacetyl)amino]phenyl]cyclohexanecarbonyl]amino]-2-methyl-propionic acid Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CNC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CNC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-25(2,24(31)32)28-23(30)19-10-8-17(9-11-19)18-12-14-21(15-13-18)27-22(29)16-26-20-6-4-3-5-7-20/h3-7,12-15,17,19,26H,8-11,16H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)