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2-[2-[carboxymethyl-[2-keto-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]ethyl-[2-keto-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]acetic acid

View entire compound with spectra: 1 NMR

2-[2-[carboxymethyl-[2-keto-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]ethyl-[2-keto-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]acetic acid
SpectraBase Compound ID HAYD4BKI3EA
InChI InChI=1S/C14H20N10O10S4/c15-37(31,32)13-21-19-11(35-13)17-7(25)3-23(5-9(27)28)1-2-24(6-10(29)30)4-8(26)18-12-20-22-14(36-12)38(16,33)34/h1-6H2,(H,27,28)(H,29,30)(H2,15,31,32)(H2,16,33,34)(H,17,19,25)(H,18,20,26)
InChIKey KTKGBEYRKDMODK-UHFFFAOYSA-N
Mol Weight 616.6 g/mol
Molecular Formula C14H20N10O10S4
Exact Mass 616.024672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkTc3SE9nIS
Name 2-[2-[carboxymethyl-[2-keto-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]ethyl-[2-keto-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]acetic acid
Compound Number 4M2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N10O10S4
InChI InChI=1S/C14H20N10O10S4/c15-37(31,32)13-21-19-11(35-13)17-7(25)3-23(5-9(27)28)1-2-24(6-10(29)30)4-8(26)18-12-20-22-14(36-12)38(16,33)34/h1-6H2,(H,27,28)(H,29,30)(H2,15,31,32)(H2,16,33,34)(H,17,19,25)(H,18,20,26)
InChIKey KTKGBEYRKDMODK-UHFFFAOYSA-N
Literature Reference Author A.SCOZZAFAVA,L.MENABUONI,F.MINCIONE,C.T.SUPURAN
Literature Reference Citation J.MED.CHEM.,45,1466(2002)
Literature Reference DOI 10.1021/jm0108202
Molecular Weight 616.614 g/mol
Sample ID 40935
Solvent D2O:KOD