(2S)-1-[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]pyrrolidine-2-carboxylic acid methyl ester

SpectraBase Compound ID	FZsPR2AN7xY
InChI	InChI=1S/C26H36N2O3/c1-3-11-25(29)24(20-27-17-10-16-23(27)26(30)31-2)28(18-21-12-6-4-7-13-21)19-22-14-8-5-9-15-22/h4-9,12-15,23-25,29H,3,10-11,16-20H2,1-2H3/t23-,24+,25-/m0/s1
InChIKey	PUONKRMOEIDVJE-GVAUOCQISA-N Google Search
Mol Weight	424.6 g/mol
Molecular Formula	C26H36N2O3
Exact Mass	424.272593 g/mol

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SpectraBase Spectrum ID	FmyoUCapNij
Name	(2S)-1-[(2R,3S)-2-(Dibenzylamino)-3-hydroxy-hexyl]pyrrolidine-2-carboxylic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	424.272593024 u
Formula	C26H36N2O3
InChI	InChI=1S/C26H36N2O3/c1-3-11-25(29)24(20-27-17-10-16-23(27)26(30)31-2)28(18-21-12-6-4-7-13-21)19-22-14-8-5-9-15-22/h4-9,12-15,23-25,29H,3,10-11,16-20H2,1-2H3/t23-,24+,25-/m0/s1
InChIKey	PUONKRMOEIDVJE-GVAUOCQISA-N
Molecular Weight	424.585 g/mol
SMILES	C(N1[C@](C(=O)OC)(CCC1)[H])[C@@](N(CC=1C=CC=CC1)CC1=CC=CC=C1)([C@@](O)(CCC)[H])[H]