#24B;N-[2-[4-BENZYL-(2S)-[(1S)-[3-[1-(2,6-DICHLOROBENZYL)-3-(PYRROLIDIN-1-YL-METHYL)-1H-INDAZOL-6-YL]-UREIDO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-

SpectraBase Compound ID	6fQ54r5jo44
InChI	InChI=1S/C54H62Cl2N10O4.ClH/c55-44-21-14-22-45(56)43(44)33-66-49-30-41(24-25-42(49)48(62-66)34-63-27-12-13-28-63)59-54(70)61-47(29-38-15-4-1-5-16-38)50-35-65(32-40-19-8-3-9-20-40)52(68)37-64(50)36-51(67)60-46(23-10-11-26-57)53(69)58-31-39-17-6-2-7-18-39;/h1-9,14-22,24-25,30,46-47,50H,10-13,23,26-29,31-37,57H2,(H,58,69)(H,60,67)(H2,59,61,70);1H/t46?,47-,50+;/m1./s1
InChIKey	GOPNITJMXLATBJ-VDAOIBDASA-N Google Search
Mol Weight	1022.5 g/mol
Molecular Formula	C54H63Cl3N10O4
Exact Mass	1020.409934 g/mol

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SpectraBase Spectrum ID	9ALPKlZAG4l
Name	#24B;N-[2-[4-BENZYL-(2S)-[(1S)-[3-[1-(2,6-DICHLOROBENZYL)-3-(PYRROLIDIN-1-YL-METHYL)-1H-INDAZOL-6-YL]-UREIDO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C54H63Cl3N10O4
InChI	InChI=1S/C54H62Cl2N10O4.ClH/c55-44-21-14-22-45(56)43(44)33-66-49-30-41(24-25-42(49)48(62-66)34-63-27-12-13-28-63)59-54(70)61-47(29-38-15-4-1-5-16-38)50-35-65(32-40-19-8-3-9-20-40)52(68)37-64(50)36-51(67)60-46(23-10-11-26-57)53(69)58-31-39-17-6-2-7-18-39;/h1-9,14-22,24-25,30,46-47,50H,10-13,23,26-29,31-37,57H2,(H,58,69)(H,60,67)(H2,59,61,70);1H/t46?,47-,50+;/m1./s1
InChIKey	GOPNITJMXLATBJ-VDAOIBDASA-N
Literature Reference Author	A.M.VALDIVIELSO,M.T.GARCIA-LOPEZ,M.GUTIERREZ-RODRIGUEZ,R.HER RANZ
Literature Reference Citation	MOLECULES,19,4814(2014)
Literature Reference DOI	10.3390/molecules19044814
Molecular Weight	1022.518 g/mol
Solvent	DMSO-D6
Source File Reference	UWBT14813