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2-[2-(bis(carboxymethyl)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-(bis(carboxymethyl)amino)ethyl-[2-keto-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]acetic acid
SpectraBase Compound ID ASSHCHbfjsQ
InChI InChI=1S/C12H18N6O9S2/c13-29(26,27)12-16-15-11(28-12)14-7(19)3-17(4-8(20)21)1-2-18(5-9(22)23)6-10(24)25/h1-6H2,(H,20,21)(H,22,23)(H,24,25)(H2,13,26,27)(H,14,15,19)
InChIKey SQBOZXKVBSJTDL-UHFFFAOYSA-N
Mol Weight 454.43 g/mol
Molecular Formula C12H18N6O9S2
Exact Mass 454.057669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rNdP4ZSbAI
Name 2-[2-(bis(carboxymethyl)amino)ethyl-[2-keto-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]acetic acid
Compound Number 4M
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N6O9S2
InChI InChI=1S/C12H18N6O9S2/c13-29(26,27)12-16-15-11(28-12)14-7(19)3-17(4-8(20)21)1-2-18(5-9(22)23)6-10(24)25/h1-6H2,(H,20,21)(H,22,23)(H,24,25)(H2,13,26,27)(H,14,15,19)
InChIKey SQBOZXKVBSJTDL-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 454.430 g/mol
Sample ID 40934
Solvent D2O:K2CO3