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6-[[2-[3-[5-[2-[(2-carbomethoxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-keto-ethyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR

6-[[2-[3-[5-[2-[(2-carbomethoxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-keto-ethyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester
SpectraBase Compound ID PpCoM4fk88
InChI InChI=1S/C34H38N4O10S2/c1-33(2)25(31(45)47-5)37-27(43)23(29(37)49-33)35-21(41)13-15-7-9-19(39)17(11-15)18-12-16(8-10-20(18)40)14-22(42)36-24-28(44)38-26(32(46)48-6)34(3,4)50-30(24)38/h7-12,23-26,29-30,39-40H,13-14H2,1-6H3,(H,35,41)(H,36,42)
InChIKey IQZAVEYGRUPQEF-UHFFFAOYSA-N
Mol Weight 726.8 g/mol
Molecular Formula C34H38N4O10S2
Exact Mass 726.202936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tF40zV8RM4
Name 6-[[2-[3-[5-[2-[(2-carbomethoxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-keto-ethyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester
Compound Number XML-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38N4O10S2
InChI InChI=1S/C34H38N4O10S2/c1-33(2)25(31(45)47-5)37-27(43)23(29(37)49-33)35-21(41)13-15-7-9-19(39)17(11-15)18-12-16(8-10-20(18)40)14-22(42)36-24-28(44)38-26(32(46)48-6)34(3,4)50-30(24)38/h7-12,23-26,29-30,39-40H,13-14H2,1-6H3,(H,35,41)(H,36,42)
InChIKey IQZAVEYGRUPQEF-UHFFFAOYSA-N
Literature Reference Author H.AGEMATU,T.TSUCHIDA,K.KOMINATO,N.SHIBAMOTO,T.YOSHIOKA,H.NIS HIDA,R.OKAMOTO,T.SHI
Literature Reference Citation J.ANTIBIOTICS,46,141(1993)
Literature Reference DOI 10.7164/antibiotics.46.141
Molecular Weight 726.817 g/mol
Sample ID 53437
Solvent CDCl3