6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-PHENYL-ACETYLAMINO]-PENICILLANIC-ACID

SpectraBase Compound ID	4BZ77vNGOPh
InChI	InChI=1S/C25H26N4O8S/c1-25(2)20(24(36)37)29-22(35)19(23(29)38-25)28-21(34)17(12-3-5-13(6-4-12)26-9-10-30)27-18-14(11-31)15(32)7-8-16(18)33/h3-8,11,17,19-20,23,26-27,30H,9-10H2,1-2H3,(H,28,34)(H,36,37)/t17-,19-,20+,23-/m1/s1
InChIKey	WVPYKWXFBZJARV-OYWYANMWSA-N Google Search
Mol Weight	542.56 g/mol
Molecular Formula	C25H26N4O8S
Exact Mass	542.147135 g/mol

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SpectraBase Spectrum ID	3F0g0o3fAdO
Name	6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-PHENYL-ACETYLAMINO]-PENICILLANIC-ACID
Compound Number	3E
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C25H26N4O8S
InChI	InChI=1S/C25H26N4O8S/c1-25(2)20(24(36)37)29-22(35)19(23(29)38-25)28-21(34)17(12-3-5-13(6-4-12)26-9-10-30)27-18-14(11-31)15(32)7-8-16(18)33/h3-8,11,17,19-20,23,26-27,30H,9-10H2,1-2H3,(H,28,34)(H,36,37)/t17-,19-,20+,23-/m1/s1
InChIKey	WVPYKWXFBZJARV-OYWYANMWSA-N
Literature Reference Author	A.MIKOLASCH,T.H.J.NIEDERMEYER,M.LALK,S.WITT,S.SEEFELDT,E.HAM MER,F.SCHAUER,M.GESE
Literature Reference Citation	CHEM.PHARM.BULL.,54,632(2006)
Literature Reference DOI	10.1248/cpb.54.632
Molecular Weight	542.563 g/mol
Sample ID	36917
Solvent	ACETONITRILE-D3