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SUBEREAMINE_A;(E)-2-(3-(3-BROMO-4-METHOXYPHENYL)-ACRYLAMIDO)-5-GUANIDINOPENTANOIC_ACID
SpectraBase Compound ID 2r1ww2W61gd
InChI InChI=1S/C16H21BrN4O4/c1-25-13-6-4-10(9-11(13)17)5-7-14(22)21-12(15(23)24)3-2-8-20-16(18)19/h4-7,9,12H,2-3,8H2,1H3,(H,21,22)(H,23,24)(H4,18,19,20)/b7-5+/t12-/m1/s1
InChIKey CYWJABQUHPIUCD-HOSRBBHYSA-N
Mol Weight 413.27 g/mol
Molecular Formula C16H21BrN4O4
Exact Mass 412.074618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSedBQgjlpp
Name SUBEREAMINE_A;(E)-2-(3-(3-BROMO-4-METHOXYPHENYL)-ACRYLAMIDO)-5-GUANIDINOPENTANOIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21BrN4O4
InChI InChI=1S/C16H21BrN4O4/c1-25-13-6-4-10(9-11(13)17)5-7-14(22)21-12(15(23)24)3-2-8-20-16(18)19/h4-7,9,12H,2-3,8H2,1H3,(H,21,22)(H,23,24)(H4,18,19,20)/b7-5+/t12-/m1/s1
InChIKey CYWJABQUHPIUCD-HOSRBBHYSA-N
Literature Reference Author L.A.SHAALA,F.H.BAMANE,J.M.BADR,D.T.A.YOUSSEF
Literature Reference Citation J.NAT.PROD.,74,1517(2011)
Literature Reference DOI 10.1021/np200120d
Molecular Weight 413.271 g/mol
Sample ID 38503
Solvent DMSO-D6