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N-[N2-carboxy-N5-(nitroamidino)-L-ornithyl]glycine, N2-(p-nitrobenzyl)ester, hydrate
SpectraBase Compound ID 3RZlZSVS4OQ
InChI InChI=1S/C16H21N7O9.H2O/c17-15(21-23(30)31)18-7-1-2-12(14(26)19-8-13(24)25)20-16(27)32-9-10-3-5-11(6-4-10)22(28)29;/h3-6,12H,1-2,7-9H2,(H,19,26)(H,20,27)(H,24,25)(H3,17,18,21);1H2
InChIKey OBYUZPMBIZCOOR-UHFFFAOYSA-N
Mol Weight 473.399 g/mol
Molecular Formula C16H23N7O10
Exact Mass 473.15064 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JSWhySw9hf7
Name N-[N^2-CARBOXY-N^5-(NITROAMIDINO)ORNITHYL]GLYCINE, N^2-(p-NITROBENZYL) ESTER, HYDRATE
Source of Sample K. Berse, University of Montreal, Montreal, Canada
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N7O10
InChI InChI=1S/C16H21N7O9.H2O/c17-15(21-23(30)31)18-7-1-2-12(14(26)19-8-13(24)25)20-16(27)32-9-10-3-5-11(6-4-10)22(28)29;/h3-6,12H,1-2,7-9H2,(H,19,26)(H,20,27)(H,24,25)(H3,17,18,21);1H2
InChIKey OBYUZPMBIZCOOR-UHFFFAOYSA-N
Melting Point 128-129C
Molecular Weight 473.398987
Synonyms GLYCINE, N-/2-/P-NITROCARBO- BENZOXYAMIDO/-5-/3-NITROGUANIDO/- PENTANOYL/-, HYDRATE
Technique KBr WAFER