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N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN
SpectraBase Compound ID 5Jvrkw4T2cU
InChI InChI=1S/C52H68N8O8S/c1-34-35(2)47(36(3)40-28-52(7,8)67-46(34)40)69(65,66)58-49(53)54-26-18-25-41(48(63)55-29-38-21-14-10-15-22-38)56-44(61)32-59-33-45(62)60(30-39-23-16-11-17-24-39)31-43(59)42(27-37-19-12-9-13-20-37)57-50(64)68-51(4,5)6/h9-17,19-24,41-43H,18,25-33H2,1-8H3,(H,55,63)(H,56,61)(H,57,64)(H3,53,54,58)/t41?,42-,43+/m0/s1
InChIKey NFZRVSLPCSLMPC-IEZDNMIOSA-N
Mol Weight 965.2 g/mol
Molecular Formula C52H68N8O8S
Exact Mass 964.488082 g/mol
Enantiomer InChIKey NFZRVSLPCSLMPC-OLBUKZTLSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Exploring the Phe-Gly Dipeptide-Derived Piperazinone Scaffold in the Search for Antagonists of the Thrombin Receptor PAR1 Molecules 2014
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