| SMILES | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r,wU:100.104,85.88,72.75,56.59,134.143,4.3,38.41,13.13,145.153,wD:64.67,80.83,140.148,89.92,8.8,47.50,24.25,(64.07,-11.82,;62.73,-11.04,;62.73,-9.51,;61.4,-11.82,;61.4,-13.36,;60.06,-14.12,;58.73,-13.36,;58.73,-11.82,;57.39,-14.12,;57.39,-15.67,;56.06,-13.36,;54.72,-14.12,;54.72,-15.66,;53.39,-13.35,;53.39,-11.82,;54.72,-11.04,;54.73,-9.5,;56.06,-8.74,;57.4,-9.5,;57.4,-11.04,;56.06,-11.82,;52.05,-14.12,;50.71,-13.35,;50.71,-11.81,;49.38,-14.11,;49.38,-15.66,;50.71,-16.43,;52.12,-15.8,;53.13,-16.95,;52.36,-18.29,;52.85,-19.75,;51.81,-20.91,;50.3,-20.58,;49.84,-19.12,;50.87,-17.97,;48.05,-13.35,;46.71,-14.11,;46.71,-15.65,;45.38,-13.34,;45.38,-11.81,;46.71,-11.03,;46.71,-9.49,;45.38,-8.73,;48.05,-8.72,;44.04,-14.11,;42.71,-13.34,;42.71,-11.8,;41.37,-14.1,;41.37,-15.65,;42.71,-16.42,;42.71,-17.97,;41.37,-18.73,;44.04,-18.73,;40.03,-13.34,;38.7,-14.1,;38.7,-15.64,;37.37,-13.33,;37.37,-11.8,;38.7,-11.02,;40.03,-11.8,;38.7,-9.48,;36.03,-14.1,;34.69,-13.33,;34.69,-11.79,;33.37,-14.09,;33.37,-15.64,;34.69,-16.41,;36.03,-15.64,;34.69,-17.96,;32.03,-13.33,;30.7,-14.09,;30.7,-15.63,;29.35,-13.33,;29.35,-11.79,;30.7,-11.01,;32.03,-11.79,;30.7,-9.47,;28.03,-14.09,;26.69,-13.32,;26.69,-11.78,;25.36,-14.08,;25.36,-15.63,;24.01,-13.32,;22.69,-14.08,;22.69,-15.62,;21.35,-13.32,;20.02,-14.08,;18.68,-13.31,;18.68,-11.77,;17.35,-14.07,;17.35,-15.62,;18.68,-16.4,;18.67,-17.94,;19.99,-18.71,;21.33,-17.95,;21.33,-16.41,;20,-15.62,;16.01,-13.31,;14.67,-14.07,;14.67,-15.62,;13.34,-13.31,;13.34,-11.77,;14.68,-10.99,;16.01,-11.77,;14.68,-9.45,;12.01,-14.07,;10.69,-13.29,;10.71,-11.76,;9.36,-14.04,;8.04,-13.26,;6.72,-14,;5.39,-13.21,;5.41,-11.67,;6.75,-10.93,;8.07,-11.72,;7.16,-9.45,;8.65,-9.06,;6.08,-8.36,;4.08,-10.88,;2.75,-11.63,;2.73,-13.16,;1.38,-13.9,;.07,-13.12,;-1.29,-13.86,;.09,-11.58,;1.44,-10.84,;1.45,-9.3,;2.8,-8.57,;2.82,-7.03,;4.17,-6.27,;4.18,-4.72,;5.48,-7.07,;5.45,-8.6,;4.11,-9.35,;21.35,-11.78,;20.02,-11,;22.69,-11,;62.73,-14.13,;62.73,-15.67,;64.07,-13.37,;65.4,-14.13,;65.4,-15.68,;66.74,-13.37,;66.74,-11.83,;68.07,-14.13,;69.41,-13.37,;69.41,-11.83,;70.74,-11.05,;70.74,-14.14,;72.07,-13.38,;70.74,-15.68,)| |
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Frank, AO; Vangamudi, B; Feldkamp, MD; Souza-Fagundes, EM; Luzwick, JW; Cortez, D; Olejniczak, ET; Waterson, AG; Rossanese, OW; Chazin, WJ; Fesik, SW Discovery of a potent stapled helix peptide that binds to the 70N domain of replication protein A. J Med Chem57:2455-61 (2014) [PubMed] Article