3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-phenethyl-amino]methyl]-3-(phenethylamino)propanoic acid

Systemtic Name: 3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-phenethyl-amino]methyl]-3-(phenethylamino)propanoic acid Openeye Name: 3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-phenethyl-amino]methyl]-3-(phenethylamino)propanoic acid CAS Name: 3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-phenethylamino]methyl]-3-(phenethylamino)propanoic acid IUPAC Name: 3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-phenethylamino]methyl]-3-(phenethylamino)propanoic acid Traditional Name: 3-(4-bromophenyl)-2-[[brosyl(phenethyl)amino]methyl]-3-(phenethylamino)propionic acid Formula: C32H32Br2N2O4S MolecularWeight: 700.48048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(C2=CC=C(C=C2)Br)C(CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(C2=CC=C(C=C2)Br)C(CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C32H32Br2N2O4S/c33-27-13-11-26(12-14-27)31(35-21-19-24-7-3-1-4-8-24)30(32(37)38)23-36(22-20-25-9-5-2-6-10-25)41(39,40)29-17-15-28(34)16-18-29/h1-18,30-31,35H,19-23H2,(H,37,38)