(2S)-6-azanyl-2-[(4-bromophenyl)sulfonyl-(2,2-diphenylethanoyl)amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[(4-bromophenyl)sulfonyl-(2,2-diphenylethanoyl)amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[(4-bromophenyl)sulfonyl-(2,2-diphenylacetyl)amino]hexanoic acid CAS Name: (2S)-6-amino-2-[(4-bromophenyl)sulfonyl-(1-oxo-2,2-diphenylethyl)amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[(4-bromophenyl)sulfonyl-(2,2-diphenylacetyl)amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[brosyl-(2,2-diphenylacetyl)amino]hexanoic acid Formula: C26H27BrN2O5S MolecularWeight: 559.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N(C(CCCCN)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N([C@@H](CCCCN)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C26H27BrN2O5S/c27-21-14-16-22(17-15-21)35(33,34)29(23(26(31)32)13-7-8-18-28)25(30)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14-17,23-24H,7-8,13,18,28H2,(H,31,32)/t23-/m0/s1