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5-(3'-Amino-5-[1''-methyl-guanidino]-valeroamido)-6-carboxy-oxane

View entire compound with spectra: 1 NMR

5-(3'-Amino-5-[1''-methyl-guanidino]-valeroamido)-6-carboxy-oxane
SpectraBase Compound ID 7P5JzoezAmv
InChI InChI=1S/C13H25N5O4/c1-18(13(15)16)5-4-8(14)7-10(19)17-9-3-2-6-22-11(9)12(20)21/h8-9,11H,2-7,14H2,1H3,(H3,15,16)(H,17,19)(H,20,21)
InChIKey YDSBQHSBAHOIHI-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C13H25N5O4
Exact Mass 315.190654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LofCDiR7qp1
Name 5-(3'-Amino-5-[1''-methyl-guanidino]-valeroamido)-6-carboxy-oxane
CAS Registry Number 47226-37-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H25N5O4
InChI InChI=1S/C13H25N5O4/c1-18(13(15)16)5-4-8(14)7-10(19)17-9-3-2-6-22-11(9)12(20)21/h8-9,11H,2-7,14H2,1H3,(H3,15,16)(H,17,19)(H,20,21)
InChIKey YDSBQHSBAHOIHI-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference S. Harada, E. Mizuta, T. Kishi, J. Am. Chem. Soc. 100, 4895 (1978).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O