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(2S)-2-[[1-(4-BROMO-1H-PYRROL-2-YL)-METHANOYL]-AMINO]-6-GUANIDINOHEXANOIC-ACID
SpectraBase Compound ID 9NN6U7U5Ecs
InChI InChI=1S/C12H18BrN5O3.ClH/c13-7-5-9(17-6-7)10(19)18-8(11(20)21)3-1-2-4-16-12(14)15;/h5-6,8,17H,1-4H2,(H,18,19)(H,20,21)(H4,14,15,16);1H
InChIKey HGTVCPIVPPRWKK-UHFFFAOYSA-N
Mol Weight 396.67 g/mol
Molecular Formula C12H19BrClN5O3
Exact Mass 395.03598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6XkuEVxPfz
Name (2S)-2-[[1-(4-BROMO-1H-PYRROL-2-YL)-METHANOYL]-AMINO]-6-GUANIDINOHEXANOIC-ACID
Compound Number L-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H19BrClN5O3
InChI InChI=1S/C12H18BrN5O3.ClH/c13-7-5-9(17-6-7)10(19)18-8(11(20)21)3-1-2-4-16-12(14)15;/h5-6,8,17H,1-4H2,(H,18,19)(H,20,21)(H4,14,15,16);1H
InChIKey HGTVCPIVPPRWKK-UHFFFAOYSA-N
Literature Reference Author T.LINDEL,M.HOCHGUERTEL,M.ASSMANN,M.KOECK
Literature Reference Citation J.NAT.PROD.,63,1566(2000)
Literature Reference DOI 10.1021/np000160o
Molecular Weight 396.672 g/mol
Solvent DMSO-D6
Source File Reference UWRU8660