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(2S)-2-[(9H-FLUOREN-9-YLMETHYLMETHOXYCARBONYL)-METHYL-AMINO]-5-[HYDROXYMETHYL-(2-OXY-6H-[1,2,3,5]-OXATRIAZIN-4-YL-AMINO)]-PENTANOIC-ACID

View entire compound with spectra: 1 NMR

(2S)-2-[(9H-FLUOREN-9-YLMETHYLMETHOXYCARBONYL)-METHYL-AMINO]-5-[HYDROXYMETHYL-(2-OXY-6H-[1,2,3,5]-OXATRIAZIN-4-YL-AMINO)]-PENTANOIC-ACID
SpectraBase Compound ID L5EtR5IfpGK
InChI InChI=1S/2C24H27N5O7/c2*1-27(21(22(30)31)12-7-13-28(34-2)23-25-15-36-29(33)26-23)24(32)35-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h2*3-6,8-11,20-21H,7,12-15H2,1-2H3,(H,30,31)/t2*21-/m00/s1
InChIKey YBZAWRIVAJPNOR-WBWGXLNPSA-N
Mol Weight 995.02 g/mol
Molecular Formula C48H54N10O14
Exact Mass 994.382096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0fGvZHcpyw
Name (2S)-2-[(9H-FLUOREN-9-YLMETHYLMETHOXYCARBONYL)-METHYL-AMINO]-5-[HYDROXYMETHYL-(2-OXY-6H-[1,2,3,5]-OXATRIAZIN-4-YL-AMINO)]-PENTANOIC-ACID
Compound Number 68
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H54N10O14
InChI InChI=1S/2C24H27N5O7/c2*1-27(21(22(30)31)12-7-13-28(34-2)23-25-15-36-29(33)26-23)24(32)35-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h2*3-6,8-11,20-21H,7,12-15H2,1-2H3,(H,30,31)/t2*21-/m00/s1
InChIKey YBZAWRIVAJPNOR-WBWGXLNPSA-N
Literature Reference Author L.AURELIO,J.S.BOX,R.T.C.BROWNLEE,A.B.HUGHES,M.M.SLEEBS
Literature Reference Citation J.ORG.CHEM.,68,2652(2003)
Literature Reference DOI 10.1021/jo026722l
Molecular Weight 995.015 g/mol
Solvent DMSO-D6
Source File Reference UWLU27995