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3-(N-(1-(N-(4-AMINO-BUTYL)-N-(3-AMINO-PROPYL)-CARBAMOYL)-2-(4-HYDROXY-PHENYL)-ETHYL)-CARBAMOYL)-OXIRANE-2-CARBOXYLIC-ACID,ROTAMER-#2

View entire compound with spectra: 2 NMR

3-(N-(1-(N-(4-AMINO-BUTYL)-N-(3-AMINO-PROPYL)-CARBAMOYL)-2-(4-HYDROXY-PHENYL)-ETHYL)-CARBAMOYL)-OXIRANE-2-CARBOXYLIC-ACID,ROTAMER-#2
SpectraBase Compound ID 1vUW7WROwh0
InChI InChI=1S/C20H30N4O6/c21-8-1-2-10-24(11-3-9-22)19(27)15(12-13-4-6-14(25)7-5-13)23-18(26)16-17(30-16)20(28)29/h4-7,15-17,25H,1-3,8-12,21-22H2,(H,23,26)(H,28,29)
InChIKey GRBXFTOUISIXRP-UHFFFAOYSA-N
Mol Weight 422.48 g/mol
Molecular Formula C20H30N4O6
Exact Mass 422.216535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BU0JVX7pAnj
Name 3-(N-(1-(N-(4-AMINO-BUTYL)-N-(3-AMINO-PROPYL)-CARBAMOYL)-2-(4-HYDROXY-PHENYL)-ETHYL)-CARBAMOYL)-OXIRANE-2-CARBOXYLIC-ACID;WF14861,ROTAMER-#1
Compound Number 1-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30N4O6
InChI InChI=1S/C20H30N4O6/c21-8-1-2-10-24(11-3-9-22)19(27)15(12-13-4-6-14(25)7-5-13)23-18(26)16-17(30-16)20(28)29/h4-7,15-17,25H,1-3,8-12,21-22H2,(H,23,26)(H,28,29)
InChIKey GRBXFTOUISIXRP-UHFFFAOYSA-N
Literature Reference Author T.OTSUKA,Y.MURAMATSU,T.HIGAKI,T.NAKANISHI,S.TAKASE,H.HATANAK A,M.OKAMOTO,M.HINO,S
Literature Reference Citation J.ANTIBIOTICS,52,536(1999)
Literature Reference DOI 10.7164/antibiotics.52.536
Molecular Weight 422.481 g/mol
Solvent CD3OD
Source File Reference UWRU1981