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(2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]-3-methyl-butyric acid methyl ester
SpectraBase Compound ID 7vUOACtnfbP
InChI InChI=1S/C26H38N2O3/c1-5-12-24(29)23(17-27-25(20(2)3)26(30)31-4)28(18-21-13-8-6-9-14-21)19-22-15-10-7-11-16-22/h6-11,13-16,20,23-25,27,29H,5,12,17-19H2,1-4H3/t23-,24+,25+/m1/s1
InChIKey MMYDTRWPNYYRSX-DSITVLBTSA-N
Mol Weight 426.6 g/mol
Molecular Formula C26H38N2O3
Exact Mass 426.288243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRqjVMD9VAl
Name (2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]-3-methyl-butyric acid methyl ester
Alternate Name(s) (2S)-2-[[(2R,3S)-2-[bis(phenylmethyl)amino]-3-hydroxyhexyl]amino]-3-methylbutanoic acid methyl ester Methyl (2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]-3-methyl-butanoate Methyl (2S)-2-[[(2R,3S)-2-[bis(phenylmethyl)amino]-3-oxidanyl-hexyl]amino]-3-methyl-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38N2O3
InChI InChI=1S/C26H38N2O3/c1-5-12-24(29)23(17-27-25(20(2)3)26(30)31-4)28(18-21-13-8-6-9-14-21)19-22-15-10-7-11-16-22/h6-11,13-16,20,23-25,27,29H,5,12,17-19H2,1-4H3/t23-,24+,25+/m1/s1
InChIKey MMYDTRWPNYYRSX-DSITVLBTSA-N
Molecular Weight 426.601 g/mol
SMILES N(C[C@]([C@@](O)(CCC)[H])(N(Cc1ccccc1)Cc1ccccc1)[H])[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-001l-9162000000-58057743c94b7762c712
Source of Spectrum F-54-15736-14
Wiley ID 804331