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(+/-)-(3R,4S)-3-[[3-(3-CYANOPHENYL)-UREIDO]-METHYL]-1-METHYL-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLIDINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID 9Y0UgFDDREi
InChI InChI=1S/C24H25N5O3/c1-28-13-20(19-12-29(2)21-9-4-3-8-18(19)21)24(15-28,22(30)31)14-26-23(32)27-17-7-5-6-16(10-17)11-25/h3-10,12,20H,13-15H2,1-2H3,(H,30,31)(H2,26,27,32)/t20-,24+/m0/s1
InChIKey MUQUGTAFZDVWKW-GBXCKJPGSA-N
Mol Weight 431.5 g/mol
Molecular Formula C24H25N5O3
Exact Mass 431.19574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGdjtEkdYPM
Name (+/-)-(3R,4S)-3-[[3-(3-CYANOPHENYL)-UREIDO]-METHYL]-1-METHYL-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLIDINE-3-CARBOXYLIC-ACID
Compound Number 14[6,7]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25N5O3
InChI InChI=1S/C24H25N5O3/c1-28-13-20(19-12-29(2)21-9-4-3-8-18(19)21)24(15-28,22(30)31)14-26-23(32)27-17-7-5-6-16(10-17)11-25/h3-10,12,20H,13-15H2,1-2H3,(H,30,31)(H2,26,27,32)/t20-,24+/m0/s1
InChIKey MUQUGTAFZDVWKW-GBXCKJPGSA-N
Literature Reference Author D.BLANCO-ANIA,C.VALDERAS-CORTINA,P.H.H.HERMKENS,L.A.J.M.SLIE DREGT,H.W.SCHEEREN,F
Literature Reference Citation MOLECULES,15,2269(2010)
Literature Reference DOI 10.3390/molecules15042269
Molecular Weight 431.494 g/mol
Sample ID 70239
Solvent DMSO-D6