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L-Phenylalanine, N-(1-acetyl-L-prolyl)-, phenylmethyl ester
SpectraBase Compound ID 6eXV6GECIz9
InChI InChI=1S/C23H26N2O4/c1-17(26)25-14-8-13-21(25)22(27)24-20(15-18-9-4-2-5-10-18)23(28)29-16-19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-16H2,1H3,(H,24,27)/t20-,21-/m0/s1
InChIKey JFJNGOFMYPVWBU-SFTDATJTSA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSc2IrOVj2X
Name L-Phenylalanine, N-(1-acetyl-L-prolyl)-, phenylmethyl ester
Alternate Name(s) benzyl (2S)-2-({[(2S)-1-acetylpyrrolidinyl]carbonyl}amino)-3-phenylpropanoate N-(N'-acetyl-L-prolyl)-L-phenylalanine benzyl ester
CAS Registry Number 94740-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O4
InChI InChI=1S/C23H26N2O4/c1-17(26)25-14-8-13-21(25)22(27)24-20(15-18-9-4-2-5-10-18)23(28)29-16-19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-16H2,1H3,(H,24,27)/t20-,21-/m0/s1
InChIKey JFJNGOFMYPVWBU-SFTDATJTSA-N
Molecular Weight 394.471 g/mol
SMILES N(C([C@]1(N(C(=O)C)CCC1)[H])=O)[C@](C(OCc1ccccc1)=O)(Cc1ccccc1)[H]
SPLASH splash10-0229-9401000000-079b2f54e4d7bf9187f9
Source of Spectrum KC-1990-3106-5
Wiley ID 1366727