3-[[4-[[[2,4-bis(bromanyl)phenoxy]carbonyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[2,4-bis(bromanyl)phenoxy]carbonyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(2,4-dibromophenoxy)carbonyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)-[(2,4-dibromophenoxy)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(2,4-dibromophenoxy)carbonylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(2,4-dibromophenoxy)carbonyl-amino]methyl]benzoyl]amino]propionic acid Formula: C28H34Br2N2O5 MolecularWeight: 638.38796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)OC3=C(C=C(C=C3)Br)Br

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)OC3=C(C=C(C=C3)Br)Br

InChI

InChI=1S/C28H34Br2N2O5/c1-28(2,3)20-8-11-22(12-9-20)32(27(36)37-24-13-10-21(29)16-23(24)30)17-18-4-6-19(7-5-18)26(35)31-15-14-25(33)34/h4-7,10,13,16,20,22H,8-9,11-12,14-15,17H2,1-3H3,(H,31,35)(H,33,34)