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2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-5-phenyl-, ethyl ester
SpectraBase Compound ID 3ufFdIqO12Z
InChI InChI=1S/C27H34N2O5/c1-5-33-24(30)17-16-22(18-20-12-8-6-9-13-20)28-25(31)23(19-21-14-10-7-11-15-21)29-26(32)34-27(2,3)4/h6-17,22-23H,5,18-19H2,1-4H3,(H,28,31)(H,29,32)/b17-16+
InChIKey YIMJKFXRFVLJLQ-WUKNDPDISA-N
Mol Weight 466.6 g/mol
Molecular Formula C27H34N2O5
Exact Mass 466.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8V7wamcadgc
Name 2-(E)-PENTENOIC ACID, (4S)-4-[(tert-BUTYLOXYCARBONYL-(S)-PHENYLALANYL)AMINO]-5-PHENYL-, ETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H34N2O5
InChI InChI=1S/C27H34N2O5/c1-5-33-24(30)17-16-22(18-20-12-8-6-9-13-20)28-25(31)23(19-21-14-10-7-11-15-21)29-26(32)34-27(2,3)4/h6-17,22-23H,5,18-19H2,1-4H3,(H,28,31)(H,29,32)/b17-16+
InChIKey YIMJKFXRFVLJLQ-WUKNDPDISA-N
Instrument Name 311A
Molecular Weight 466.2459
SMILES N(C(C(NC(\C=C\C(OCC)=O)Cc1ccccc1)=O)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-056r-6911000000-0fd150e44f040a3fd26c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany