3-[[4-[[(4-bromophenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-bromophenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-bromophenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[(4-bromoanilino)-oxomethyl]-(4-tert-butylcyclohexyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-bromophenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-bromophenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propionic acid Formula: C28H36BrN3O4 MolecularWeight: 558.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C28H36BrN3O4/c1-28(2,3)21-8-14-24(15-9-21)32(27(36)31-23-12-10-22(29)11-13-23)18-19-4-6-20(7-5-19)26(35)30-17-16-25(33)34/h4-7,10-13,21,24H,8-9,14-18H2,1-3H3,(H,30,35)(H,31,36)(H,33,34)