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

Systemtic Name: (2S)-6-azanyl-2-[(4-bromophenyl)sulfonyl-(phenylcarbonyl)amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[benzoyl-(4-bromophenyl)sulfonyl-amino]hexanoic acid CAS Name: (2S)-6-amino-2-[benzoyl-(4-bromophenyl)sulfonylamino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[benzoyl-(4-bromophenyl)sulfonylamino]hexanoic acid Traditional Name: (2S)-6-amino-2-[benzoyl(brosyl)amino]hexanoic acid Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5S/c20-15-9-11-16(12-10-15)28(26,27)22(17(19(24)25)8-4-5-13-21)18(23)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,21H2,(H,24,25)/t17-/m0/s1