(2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]-3-phenyl-propionic acid methyl ester

SpectraBase Compound ID	7XvhXscZJNO
InChI	InChI=1S/C30H38N2O3/c1-3-13-29(33)28(21-31-27(30(34)35-2)20-24-14-7-4-8-15-24)32(22-25-16-9-5-10-17-25)23-26-18-11-6-12-19-26/h4-12,14-19,27-29,31,33H,3,13,20-23H2,1-2H3/t27-,28+,29-/m0/s1
InChIKey	FPZCFOQUFMAFBB-NHKHRBQYSA-N Google Search
Mol Weight	474.6 g/mol
Molecular Formula	C30H38N2O3
Exact Mass	474.288243 g/mol

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SpectraBase Spectrum ID	Bx73LLH7nIf
Name	(2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]-3-phenyl-propionic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	474.288243089 u
Formula	C30H38N2O3
InChI	InChI=1S/C30H38N2O3/c1-3-13-29(33)28(21-31-27(30(34)35-2)20-24-14-7-4-8-15-24)32(22-25-16-9-5-10-17-25)23-26-18-11-6-12-19-26/h4-12,14-19,27-29,31,33H,3,13,20-23H2,1-2H3/t27-,28+,29-/m0/s1
InChIKey	FPZCFOQUFMAFBB-NHKHRBQYSA-N
Molecular Weight	474.645 g/mol
SMILES	[C@](N(CC1=CC=CC=C1)CC1=CC=CC=C1)(CN[C@](C(=O)OC)(CC1=CC=CC=C1)[H])([C@@](O)(CCC)[H])[H]