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

Systemtic Name: (2S)-6-azanyl-2-[(4-bromophenyl)sulfonyl-(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[(4-bromophenyl)sulfonyl-(2-hydroxy-2,2-diphenyl-acetyl)amino]hexanoic acid CAS Name: (2S)-6-amino-2-[(4-bromophenyl)sulfonyl-(2-hydroxy-1-oxo-2,2-diphenylethyl)amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[(4-bromophenyl)sulfonyl-(2-hydroxy-2,2-diphenylacetyl)amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[benziloyl(brosyl)amino]hexanoic acid Formula: C26H27BrN2O6S MolecularWeight: 575.47138

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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)O

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)O

InChI

InChI=1S/C26H27BrN2O6S/c27-21-14-16-22(17-15-21)36(34,35)29(23(24(30)31)13-7-8-18-28)25(32)26(33,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14-17,23,33H,7-8,13,18,28H2,(H,30,31)/t23-/m0/s1