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(2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]propionic acid tert-butyl ester
SpectraBase Compound ID JxuNRLuvOki
InChI InChI=1S/C27H40N2O3/c1-6-13-25(30)24(18-28-21(2)26(31)32-27(3,4)5)29(19-22-14-9-7-10-15-22)20-23-16-11-8-12-17-23/h7-12,14-17,21,24-25,28,30H,6,13,18-20H2,1-5H3/t21-,24+,25-/m0/s1
InChIKey ZHQAQTFUMFEJAK-GPUOULLFSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H40N2O3
Exact Mass 440.303893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgFfrBAkzPa
Name (2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]propionic acid tert-butyl ester
Alternate Name(s) (2S)-2-[[(2R,3S)-2-[bis(phenylmethyl)amino]-3-hydroxyhexyl]amino]propanoic acid tert-butyl ester tert-Butyl (2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]propanoate tert-Butyl (2S)-2-[[(2R,3S)-2-[bis(phenylmethyl)amino]-3-oxidanyl-hexyl]amino]propanoate
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Formula C27H40N2O3
InChI InChI=1S/C27H40N2O3/c1-6-13-25(30)24(18-28-21(2)26(31)32-27(3,4)5)29(19-22-14-9-7-10-15-22)20-23-16-11-8-12-17-23/h7-12,14-17,21,24-25,28,30H,6,13,18-20H2,1-5H3/t21-,24+,25-/m0/s1
InChIKey ZHQAQTFUMFEJAK-GPUOULLFSA-N
Molecular Weight 440.628 g/mol
SMILES N(C[C@]([C@@](O)(CCC)[H])(N(Cc1ccccc1)Cc1ccccc1)[H])[C@](C(OC(C)(C)C)=O)(C)[H]
SPLASH splash10-001l-8190000000-c7aa8525f15fa6a2ff8d
Source of Spectrum F-54-15735-14
Wiley ID 804333