(2S)-2-[[4-bromanyl-2-(1H-indol-2-ylsulfonylamino)phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-bromanyl-2-(1H-indol-2-ylsulfonylamino)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-bromo-2-(1H-indol-2-ylsulfonylamino)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-bromo-2-(1H-indol-2-ylsulfonylamino)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-bromo-2-(1H-indol-2-ylsulfonylamino)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-bromo-2-(1H-indol-2-ylsulfonylamino)benzoyl]amino]-3-phenyl-propionic acid Formula: C24H20BrN3O5S MolecularWeight: 542.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C24H20BrN3O5S/c25-17-10-11-18(23(29)27-21(24(30)31)12-15-6-2-1-3-7-15)20(14-17)28-34(32,33)22-13-16-8-4-5-9-19(16)26-22/h1-11,13-14,21,26,28H,12H2,(H,27,29)(H,30,31)/t21-/m0/s1