3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-pentyl-amino]methyl]-3-(pentylamino)propanoic acid

Systemtic Name: 3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-pentyl-amino]methyl]-3-(pentylamino)propanoic acid Openeye Name: 3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-pentyl-amino]methyl]-3-(pentylamino)propanoic acid CAS Name: 3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-pentylamino]methyl]-3-(pentylamino)propanoic acid IUPAC Name: 3-(4-bromophenyl)-2-[[(4-bromophenyl)sulfonyl-pentylamino]methyl]-3-(pentylamino)propanoic acid Traditional Name: 3-(amylamino)-2-[[amyl(brosyl)amino]methyl]-3-(4-bromophenyl)propionic acid Formula: C26H36Br2N2O4S MolecularWeight: 632.44804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(C1=CC=C(C=C1)Br)C(CN(CCCCC)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCCCNC(C1=CC=C(C=C1)Br)C(CN(CCCCC)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C26H36Br2N2O4S/c1-3-5-7-17-29-25(20-9-11-21(27)12-10-20)24(26(31)32)19-30(18-8-6-4-2)35(33,34)23-15-13-22(28)14-16-23/h9-16,24-25,29H,3-8,17-19H2,1-2H3,(H,31,32)