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SB-219383;SIGNALSET-#1;N-(L-TYROSYL)-2-AMINO-[1(S*),3(S*),5(R*),8(R*)-2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL]-ACETIC-ACID
SpectraBase Compound ID LBoev10ZgvD
InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9?,10?,11-,12+,13-,15+,17-/m1/s1
InChIKey JOBDOAKLPNMGKV-OSWDQIMZSA-N
Mol Weight 413.38 g/mol
Molecular Formula C17H23N3O9
Exact Mass 413.143429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AuNdDVHYZX
Name SB-219383;SIGNALSET-#1;N-(L-TYROSYL)-2-AMINO-[1(S*),3(S*),5(R*),8(R*)-2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL]-ACETIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N3O9
InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9?,10?,11-,12+,13-,15+,17-/m1/s1
InChIKey JOBDOAKLPNMGKV-OSWDQIMZSA-N
Literature Reference Author C.S.V.HOUGE-FRYDRYCH,S.A.READSHAW,D.J.BELL
Literature Reference Citation J.ANTIBIOTICS,53,351(2000)
Literature Reference DOI 10.7164/antibiotics.53.351
Molecular Weight 412.376 g/mol
Solvent D2O
Source File Reference UWBS235