2-imidazol-1-yl-3-[[1-(2-methylpropyl)-2-phenyl-2,3-dihydro-1-benzazepin-4-yl]carbonylamino]-3-(phenylsulfinyl)propanoic acid

Systemtic Name: 2-imidazol-1-yl-3-[[1-(2-methylpropyl)-2-phenyl-2,3-dihydro-1-benzazepin-4-yl]carbonylamino]-3-(phenylsulfinyl)propanoic acid Openeye Name: 3-(benzenesulfinyl)-2-imidazol-1-yl-3-[(1-isobutyl-2-phenyl-2,3-dihydro-1-benzazepine-4-carbonyl)amino]propanoic acid CAS Name: 3-(benzenesulfinyl)-2-(1-imidazolyl)-3-[[[1-(2-methylpropyl)-2-phenyl-2,3-dihydro-1-benzazepin-4-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(benzenesulfinyl)-2-imidazol-1-yl-3-[[1-(2-methylpropyl)-2-phenyl-2,3-dihydro-1-benzazepine-4-carbonyl]amino]propanoic acid Traditional Name: 3-(benzenesulfinyl)-2-imidazol-1-yl-3-[(1-isobutyl-2-phenyl-2,3-dihydro-1-benzazepine-4-carbonyl)amino]propionic acid Formula: C33H34N4O4S MolecularWeight: 582.71246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(CC(=CC2=CC=CC=C21)C(=O)NC(C(C(=O)O)N3C=CN=C3)S(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C(CC(=CC2=CC=CC=C21)C(=O)NC(C(C(=O)O)N3C=CN=C3)S(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H34N4O4S/c1-23(2)21-37-28-16-10-9-13-25(28)19-26(20-29(37)24-11-5-3-6-12-24)31(38)35-32(42(41)27-14-7-4-8-15-27)30(33(39)40)36-18-17-34-22-36/h3-19,22-23,29-30,32H,20-21H2,1-2H3,(H,35,38)(H,39,40)