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(2R,3S,4S)-2-(benzylamino)-4-diphenylphosphoryl-3-hydroxy-5-methyl-hexanoic acid methyl ester

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(2R,3S,4S)-2-(benzylamino)-4-diphenylphosphoryl-3-hydroxy-5-methyl-hexanoic acid methyl ester
SpectraBase Compound ID BjHozBiJcpd
InChI InChI=1S/C27H32NO4P/c1-20(2)26(25(29)24(27(30)32-3)28-19-21-13-7-4-8-14-21)33(31,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24-26,28-29H,19H2,1-3H3/t24-,25+,26+/m1/s1
InChIKey XNYHAUBIVXOXNI-ZNZIZOMTSA-N
Mol Weight 465.5 g/mol
Molecular Formula C27H32NO4P
Exact Mass 465.206896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tOmV9loXBi
Name (2R,3S,4S)-2-(Benzylamino)-4-diphenylphosphoryl-3-hydroxy-5-methyl-hexanoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.206895508 u
Formula C27H32NO4P
InChI InChI=1S/C27H32NO4P/c1-20(2)26(25(29)24(27(30)32-3)28-19-21-13-7-4-8-14-21)33(31,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24-26,28-29H,19H2,1-3H3/t24-,25+,26+/m1/s1
InChIKey XNYHAUBIVXOXNI-ZNZIZOMTSA-N
Molecular Weight 465.530 g/mol
SMILES C([C@@]([C@@]([C@](C(C)C)(P(=O)(C=1C=CC=CC1)C=1C=CC=CC1)[H])(O)[H])(NCC=1C=CC=CC1)[H])(=O)OC