(2S)-2,5-bis[(4-bromophenyl)sulfonylamino]pentanoic acid

Systemtic Name: (2S)-2,5-bis[(4-bromophenyl)sulfonylamino]pentanoic acid Openeye Name: (2S)-2,5-bis[(4-bromophenyl)sulfonylamino]pentanoic acid CAS Name: (2S)-2,5-bis[(4-bromophenyl)sulfonylamino]pentanoic acid IUPAC Name: (2S)-2,5-bis[(4-bromophenyl)sulfonylamino]pentanoic acid Traditional Name: (2S)-2,5-bis(brosylamino)valeric acid Formula: C17H18Br2N2O6S2 MolecularWeight: 570.27262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NCCCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NCCC[C@@H](C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C17H18Br2N2O6S2/c18-12-3-7-14(8-4-12)28(24,25)20-11-1-2-16(17(22)23)21-29(26,27)15-9-5-13(19)6-10-15/h3-10,16,20-21H,1-2,11H2,(H,22,23)/t16-/m0/s1