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(4S,5S,R)-4-methoxycarbonyl-5-(N-benzyl-N-methylbenzylamino)-5-phenyl-pentanoic acid
SpectraBase Compound ID DVQru8hpgEv
InChI InChI=1S/C28H31NO4/c1-21(23-14-8-4-9-15-23)29(20-22-12-6-3-7-13-22)27(24-16-10-5-11-17-24)25(28(32)33-2)18-19-26(30)31/h3-17,21,25,27H,18-20H2,1-2H3,(H,30,31)/t21-,25+,27-/m1/s1
InChIKey WVXLYCXTCIVTQW-NKPLSRDGSA-N
Mol Weight 445.56 g/mol
Molecular Formula C28H31NO4
Exact Mass 445.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jj9xz8ESYGI
Name (4S,5S,R)-4-methoxycarbonyl-5-(N-benzyl-N-methylbenzylamino)-5-phenyl-pentanoic acid
Alternate Name(s) (4S,5S)-5-(benzyl((R)-1-phenylethyl)amino)-4-(methoxycarbonyl)-5-phenylpentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO4
InChI InChI=1S/C28H31NO4/c1-21(23-14-8-4-9-15-23)29(20-22-12-6-3-7-13-22)27(24-16-10-5-11-17-24)25(28(32)33-2)18-19-26(30)31/h3-17,21,25,27H,18-20H2,1-2H3,(H,30,31)/t21-,25+,27-/m1/s1
InChIKey WVXLYCXTCIVTQW-NKPLSRDGSA-N
Literature Reference DOI 10.1021/ol8001464
Molecular Weight 445.559 g/mol
SMILES OC(CC[C@@]([C@@](c1ccccc1)(N([C@](C)(c1ccccc1)[H])Cc1ccccc1)[H])(C(=O)OC)[H])=O
SPLASH splash10-0159-9400000000-e881ab2a5081fa01b88f
Source of Spectrum A1-10-1687/SMS3-4a
Wiley ID 1759272