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(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
Mol Weight 474.6 g/mol
Molecular Formula C30H38N2O3
Exact Mass 474.288243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DT1tByxbVLU
Name (2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]-3-phenyl-propionic acid methyl ester
Alternate Name(s) (2S)-2-[[(2R,3S)-2-[bis(phenylmethyl)amino]-3-hydroxyhexyl]amino]-3-phenylpropanoic acid methyl ester Methyl (2S)-2-[[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]amino]-3-phenyl-propanoate Methyl (2S)-2-[[(2R,3S)-2-[bis(phenylmethyl)amino]-3-oxidanyl-hexyl]amino]-3-phenyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C[C@]([C@@](O)(CCC)[H])(N(Cc1ccccc1)Cc1ccccc1)[H])[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-001l-8971200000-7a79f51413fd70a3ae8a
Source of Spectrum F-54-15738-14
Wiley ID 804329