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N-Tosyl-2(S)-benzyl-L-.beta.-homophenylalanine methyl ester
SpectraBase Compound ID 6pLZpV1HLsS
InChI InChI=1S/C25H27NO4S/c1-19-12-14-24(15-13-19)31(28,29)26-23(18-25(27)30-2)17-22-11-7-6-10-21(22)16-20-8-4-3-5-9-20/h3-15,23,26H,16-18H2,1-2H3/t23-/m1/s1
InChIKey PDBWOGAROKOYAM-HSZRJFAPSA-N
Mol Weight 437.55 g/mol
Molecular Formula C25H27NO4S
Exact Mass 437.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qmf8JHxmUe
Name N-Tosyl-2(S)-benzyl-L-.beta.-homophenylalanine methyl ester
Alternate Name(s) Methyl (3R)-4-(2-benzylphenyl)-3-{[(4-methylphenyl)sulfonyl]amino}butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27NO4S
InChI InChI=1S/C25H27NO4S/c1-19-12-14-24(15-13-19)31(28,29)26-23(18-25(27)30-2)17-22-11-7-6-10-21(22)16-20-8-4-3-5-9-20/h3-15,23,26H,16-18H2,1-2H3/t23-/m1/s1
InChIKey PDBWOGAROKOYAM-HSZRJFAPSA-N
Molecular Weight 437.554 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@](CC(=O)OC)(Cc1c(Cc2ccccc2)cccc1)[H]
SPLASH splash10-002e-8796000000-c3cf73f1a6adbb5b907c
Source of Spectrum QC-10-4557-7
Wiley ID 871771