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(+)-(1'S,2'S,3S)-3-dibenzylamino-N-methyl-N-(2'-phenyl-2'-hydroxy-1'-methylethyl)butanamide

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(+)-(1'S,2'S,3S)-3-dibenzylamino-N-methyl-N-(2'-phenyl-2'-hydroxy-1'-methylethyl)butanamide
SpectraBase Compound ID JRpZzVexu0G
InChI InChI=1S/C28H34N2O2/c1-22(19-27(31)29(3)23(2)28(32)26-17-11-6-12-18-26)30(20-24-13-7-4-8-14-24)21-25-15-9-5-10-16-25/h4-18,22-23,28,32H,19-21H2,1-3H3/t22-,23-,28+/m0/s1
InChIKey NKVJVHWEIZIHBW-UXWDXCIHSA-N
Mol Weight 430.6 g/mol
Molecular Formula C28H34N2O2
Exact Mass 430.262028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FhxJImE1sR8
Name (+)-(1'S,2'S,3S)-3-dibenzylamino-N-methyl-N-(2'-phenyl-2'-hydroxy-1'-methylethyl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.262028341 u
Formula C28H34N2O2
InChI InChI=1S/C28H34N2O2/c1-22(19-27(31)29(3)23(2)28(32)26-17-11-6-12-18-26)30(20-24-13-7-4-8-14-24)21-25-15-9-5-10-16-25/h4-18,22-23,28,32H,19-21H2,1-3H3/t22-,23-,28+/m0/s1
InChIKey NKVJVHWEIZIHBW-UXWDXCIHSA-N
Molecular Weight 430.592 g/mol
SMILES C(N([C@]([C@](C=1C=CC=CC1)(O)[H])(C)[H])C)(C[C@@](N(CC1=CC=CC=C1)CC1=CC=CC=C1)(C)[H])=O