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2-amino-3-[8-[[7-(2-amino-3-hydroxy-3-keto-propyl)-3,4-dihydro-2H-1,4-benzothiazin-5-yl]oxy]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-7-yl]propionic acid

View entire compound with spectra: 2 NMR

2-amino-3-[8-[[7-(2-amino-3-hydroxy-3-keto-propyl)-3,4-dihydro-2H-1,4-benzothiazin-5-yl]oxy]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-7-yl]propionic acid
SpectraBase Compound ID 1NFDoUk9g6O
InChI InChI=1S/C22H26N4O6S2/c23-12(21(28)29)5-10-6-15(18-16(7-10)33-3-1-26-18)32-19-11(8-13(24)22(30)31)9-14(27)17-20(19)34-4-2-25-17/h6-7,9,12-13,25-27H,1-5,8,23-24H2,(H,28,29)(H,30,31)
InChIKey BJHAVLOBSQXLAC-UHFFFAOYSA-N
Mol Weight 506.59 g/mol
Molecular Formula C22H26N4O6S2
Exact Mass 506.129377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgPtijCPbGJ
Name 2-amino-3-[8-[[7-(2-amino-3-hydroxy-3-keto-propyl)-3,4-dihydro-2H-1,4-benzothiazin-5-yl]oxy]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-7-yl]propionic acid
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N4O6S2
InChI InChI=1S/C22H26N4O6S2/c23-12(21(28)29)5-10-6-15(18-16(7-10)33-3-1-26-18)32-19-11(8-13(24)22(30)31)9-14(27)17-20(19)34-4-2-25-17/h6-7,9,12-13,25-27H,1-5,8,23-24H2,(H,28,29)(H,30,31)
InChIKey BJHAVLOBSQXLAC-UHFFFAOYSA-N
Literature Reference Author A.NAPOLITANO,S.MEMOLI,O.CRESCENZI,G.PROTA
Literature Reference Citation J.ORG.CHEM.,61,598(1996)
Literature Reference DOI 10.1021/jo951149+
Molecular Weight 506.592 g/mol
Solvent CDCl3
Source File Reference UWGE2096