N-[N2-carboxy-N5-(nitroamidino)-L-ornithyl]glycine, ethyl N2-p-nitrobenzyl ester, hydrate

SpectraBase Compound ID	J9PUu6G8yt7
InChI	InChI=1S/C18H25N7O9.H2O/c1-2-33-15(26)10-21-16(27)14(4-3-9-20-17(19)23-25(31)32)22-18(28)34-11-12-5-7-13(8-6-12)24(29)30;/h5-8,14H,2-4,9-11H2,1H3,(H,21,27)(H,22,28)(H3,19,20,23);1H2
InChIKey	MKOJKEXSWREXJE-UHFFFAOYSA-N Google Search
Mol Weight	501.45 g/mol
Molecular Formula	C18H27N7O10
Exact Mass	501.18194 g/mol

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SpectraBase Spectrum ID	DTdScT4EQr3
Name	N-[N^2-CARBOXY-N^5-(NITROAMIDINO)ORNITHYL]GLYCINE, ETHYL 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	C18H27N7O10
InChI	InChI=1S/C18H25N7O9.H2O/c1-2-33-15(26)10-21-16(27)14(4-3-9-20-17(19)23-25(31)32)22-18(28)34-11-12-5-7-13(8-6-12)24(29)30;/h5-8,14H,2-4,9-11H2,1H3,(H,21,27)(H,22,28)(H3,19,20,23);1H2
InChIKey	MKOJKEXSWREXJE-UHFFFAOYSA-N
Melting Point	106-107C
Molecular Weight	501.453003
Synonyms	GLYCINE, N-/2-/P-NITROCARBOBENZOXY- AMIDO/-5-/3-NITROGUANIDO/PENTANOYL/-, ETHYL ESTER
Technique	KBr WAFER